SCHEMBL4493064

SCHEMBL4493064

O=c1n(Cc2ccc(-n3cccn3)cn2)nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.44
NOTUM Q6P988 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP2C9 P11712 6/20 0.36
CYP2C19 P33261 6/20 0.36
CYP3A4 P08684 5/20 0.36
AOC3 Q16853 1/20 0.34
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDR P35968 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
SCHEMBL4489435 0.89 CNR1 (0.49) CNR1NOTUMCYP2C9CYP2C19CYP3A4
SCHEMBL4485839 0.87 CNR1 (0.48) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL13757185 0.84 CNR1 (0.45) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL4492947 0.84 CNR1 (0.45) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL4464976 0.82 CNR1 (0.51) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL4468877 0.82 CNR1 (0.55) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL4484232 0.80 CNR1 (0.44) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL4490285 0.80 CNR1 (0.44) CNR1PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL14180993 0.77 CNR1 (0.66) CNR1NOTUMCYP2C9CYP2C19CYP3A4
SCHEMBL4476731 0.77 CNR1 (0.53) CNR1CYP2C9CYP2C19CYP3A4MAPT

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 1/4885NOTUM 1186/4885PDE10A 2147/4885

“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.