SCHEMBL5469779

SCHEMBL5469779

Cc1ccc([C@@H](N)CC2CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
CRHR1 P34998 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34
HTT P42858 2/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR5 P51681 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29936770 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CRHR1
SCHEMBL892427 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CRHR1
Hydrochloric Acid SCHEMBL28652117 0.98 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1CRHR1
Hydrochloric Acid SCHEMBL28652116 0.98 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1CRHR1
SCHEMBL25871714 0.85 HPGD (0.34) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL24222041 0.84 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1AKR1C3
SCHEMBL27549476 0.79 DPP4 (0.33)
SCHEMBL14981098 0.76 ANPEP (0.41) OPRM1OPRD1OPRK1OPRL1AKR1C3
SCHEMBL5407290 0.76 AKR1C3 (0.41) OPRM1OPRD1OPRK1OPRL1AKR1C3
SCHEMBL24262071 0.76 AKR1C3 (0.41) OPRM1OPRD1OPRK1OPRL1AKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582634-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine NEUROCRINE BIOSCIENCES, INC. (US) 2026-03-24 US claimed
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US claimed
CN-115087647-A Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-alkynyl-1, 3-thiazol-2-amine 纽罗克里生物科学有限公司 2022-09-20 CN claimed
WO-2021111179-A1 SYNTHETIC METHOD FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO claimed
US-12582634-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine NEUROCRINE BIOSCIENCES, INC. (US) 2026-03-24 US disclosed
US-12128033-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine NEUROCRINE BIOSCIENCES, INC. (US) 2024-10-29 US disclosed
US-20240238257-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE SANOFI (FR) 2024-07-18 US disclosed
US-20240238257-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE SANOFI (FR) 2024-07-18 US disclosed
US-20240238257-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE SANOFI (FR) 2024-07-18 US disclosed
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US disclosed
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US disclosed
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US disclosed
EP-1242389-B1 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2004-04-21 EP disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-20030162771-A1 Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them SANOFI (FR) 2003-08-28 US disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US disclosed
EP-1242389-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001044207-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12128033-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine CYP21A2, NR5A1, HSD3B1 OPRM1 3048/4885OPRD1 4110/4885OPRK1 3021/4885
US-20240238257-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE CYP21A2, NR5A1, HSD3B1 OPRM1 2453/4885OPRD1 3810/4885OPRK1 2548/4885
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE CYP21A2, NR5A1, HSD3B1 OPRM1 2453/4885OPRD1 3810/4885OPRK1 2548/4885
US-20030162771-A1 Novel branched substituted amino derivatives of 3-amino-1-phenyl-1h-[1,2,4] triazol, methods for producing them and pharmaceutical compositions containing them CRHR1, ADRA2C, NPY1R OPRM1 16/4885OPRD1 33/4885OPRK1 13/4885
US-12582634-B2 Synthetic methods for preparation of 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine CYP21A2, CYP11B1, NR5A1 OPRM1 2006/4885OPRD1 3363/4885OPRK1 2635/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.