SCHEMBL4491834

SCHEMBL4491834

Cc1c(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)cc2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.51
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
AVPR2 P30518 7/20 0.42
AVPR1A P37288 7/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36

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
SCHEMBL4475339 0.92 CNR1 (0.54) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4493006 0.87 CNR1 (0.64) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4491833 0.85 CNR1 (0.52) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL14594195 0.85 CNR1 (0.47) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4867917 0.83 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4838865 0.79 CNR1 (0.54) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4865103 0.77 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4868741 0.77 CNR1 (0.61) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4864078 0.77 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4873089 0.76 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19AVPR2

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 1/4885CYP3A4 572/4885CYP2C9 428/4885

“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.