SCHEMBL4472028

SCHEMBL4472028

Cc1nc(C(F)(F)F)ccc1Cn1nc2c(Br)c(-c3ccc(C#N)cc3)ccn2c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.57
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP3A4 P08684 3/20 0.43
SLC2A1 P11166 2/20 0.35
SLC2A3 P11169 2/20 0.35
SLC2A4 P14672 1/20 0.35
SDHB P21912 1/20 0.34
SLC2A2 P11168 1/20 0.34
CYP11B2 P19099 1/20 0.32
KDM1A O60341 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
SCHEMBL4479891 0.88 CNR1 (0.52) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4481555 0.87 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4488400 0.86 CNR1 (0.58) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4472107 0.85 CNR1 (0.56) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4481169 0.80 CNR1 (0.44) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4493167 0.77 CNR1 (0.54) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4483989 0.76 CNR1 (0.55) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4488566 0.75 CNR1 (0.54) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4485889 0.75 CNR1 (0.51) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL4488049 0.75 CNR1 (0.53) CNR1CYP2C9CYP2C19CYP3A4

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-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
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 1/4885CYP2C9 428/4885CYP2C19 406/4885

“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.