SCHEMBL216459

SCHEMBL216459

COc1ccc(-c2c(C#N)c(CNC(=O)C(C)(C)Oc3cccc(Cl)c3)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.46
LPAR5 Q9H1C0 2/20 0.42
CNR2 P34972 3/20 0.41
HTR1A P08908 2/20 0.41
TSPO P30536 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
SLC16A3 O15427 1/20 0.40
PPARA Q07869 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL217918 0.83 CNR1 (0.47) CNR1LPAR5
SCHEMBL218911 0.82 LPAR5 (0.46) CNR1LPAR5
SCHEMBL217311 0.74 CNR1 (0.49) CNR1
SCHEMBL4185912 0.73 CNR1 (0.49) CNR1CNR2
SCHEMBL909047 0.72 CNR1 (0.61) CNR1CNR2
SCHEMBL218531 0.71 CNR1 (0.48) CNR1CNR2PPARAPOLB
SCHEMBL5620329 0.71 CNR1 (0.43) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL217923 0.70 CNR1 (0.61) CNR1
SCHEMBL908379 0.70 CNR1 (0.52) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL909117 0.70 CNR1 (0.59) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 EP disclosed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 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 (1 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 CNR1 8/4885LPAR5 354/4885CNR2 11/4885

“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.