SCHEMBL4476505

SCHEMBL4476505

COc1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.49
NPBWR1 P48145 3/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
PDE5A O76074 1/20 0.41
ADORA2A P29274 1/20 0.39
LSS P48449 1/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL4488895 0.90 CNR1 (0.51) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4483685 0.88 CNR1 (0.53) CNR1CYP3A4CYP2C9CYP2C19GCGR
SCHEMBL4476731 0.87 CNR1 (0.53) CNR1CYP3A4CYP2C9CYP2C19MAPK14
SCHEMBL4476907 0.85 CNR1 (0.52) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4477797 0.85 CNR1 (0.42) CNR1CYP3A4CYP2C9CYP2C19MAPK14
SCHEMBL4493852 0.85 CNR1 (0.42) CNR1CYP3A4CYP2C9CYP2C19MAPK14
SCHEMBL13757179 0.85 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4477963 0.85 CNR1 (0.49) CNR1CYP3A4CYP2C9CYP2C19LSS
SCHEMBL4493895 0.85 CNR1 (0.51) CNR1CYP3A4CYP2C9CYP2C19LSS
SCHEMBL4472953 0.84 CNR1 (0.60) CNR1NPBWR1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 CNR1 1/4885NPBWR1 55/4885CYP3A4 572/4885

“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.