SCHEMBL25871968

SCHEMBL25871968

C/C=C\C(=C/C)[C@H](C)N[C@@H](CC1CC1)c1ccc(C)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 5/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
LMNA P02545 4/20 0.31
KMT2A Q03164 4/20 0.31
POLB P06746 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL24105268 0.89 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29320617 0.83 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1
SCHEMBL26260561 0.79 ALDH1A1 (0.31) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL24099533 0.76 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29771571 0.76 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23182622 0.76 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23458475 0.76 LMNA (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL28638822 0.75 LMNA (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL28638820 0.75 LMNA (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23486058 0.73 ALDH1A1 (0.32) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230233534-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. 2023-07-27 US 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 (2 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-20230233534-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 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

“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.