SCHEMBL5453564

SCHEMBL5453564

Cc1ccc([C@@H](N)CC2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
OPRD1 P41143 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
CHRNA7 P36544 2/20 0.34
MAOA P21397 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAOB P27338 1/20 0.33
CA7 P43166 1/20 0.33
SLC6A4 P31645 1/20 0.33
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22867975 0.92 METAP2 (0.45) METAP2METAP1OPRD1OPRM1OPRK1
SCHEMBL22868100 0.91 METAP2 (0.47) METAP2METAP1CHRNA7KEAP1NFE2L2
SCHEMBL20289744 0.81 TSHR (0.41) SLC6A4TDP1
SCHEMBL6542877 0.80 SLC6A2 (0.39) SLC6A4
SCHEMBL5453640 0.80 DPP4 (0.40) OPRD1OPRM1OPRK1OPRL1MAOA
SCHEMBL5455820 0.80 SLC6A2 (0.39) SLC6A4
SCHEMBL5463403 0.80 SLC6A4 (0.44) OPRD1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL3061093 0.79 SCN4A (0.44)
SCHEMBL5455701 0.79 SCN4A (0.44)
SCHEMBL6854233 0.79 SCN4A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
US-6806282-B2 HAVE AN ANTAGONISTIC ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING FACTOR SANOFI-SYNTHELABO (FR) 2004-10-19 US 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 (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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 METAP2 751/4885METAP1 585/4885OPRD1 186/4885
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 METAP2 2773/4885METAP1 1655/4885OPRD1 33/4885

“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.