SCHEMBL4836643

SCHEMBL4836643

Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.59
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP3A4 P08684 3/20 0.51
ADORA2A P29274 5/20 0.41
NR3C1 P04150 1/20 0.41
ADORA1 P30542 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
SCHEMBL14003405 0.93 CNR1 (0.53) CNR1CYP2C9CYP2C19CYP3A4ADORA2A
SCHEMBL4843834 0.89 CNR1 (0.62) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4838891 0.87 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4839993 0.86 CNR1 (0.57) CNR1CYP2C9CYP2C19CYP3A4ADORA2A
SCHEMBL4836266 0.85 CNR1 (0.57) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4838798 0.85 CNR1 (0.69) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4835555 0.84 CNR1 (0.55) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL4832161 0.84 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4ADORA2A
SCHEMBL4839971 0.82 CNR1 (0.62) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14003409 0.81 CNR1 (0.52) CNR1CYP2C9CYP2C19CYP3A4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 CNR1 1/4885CYP2C9 487/4885CYP2C19 380/4885

“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.