SCHEMBL4832017

SCHEMBL4832017

CN(c1ccc(C(F)(F)F)nc1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2nn(C)c(=O)n12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
PSD A5PKW4 3/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4832068 0.90 CNR1 (0.49) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4832024 0.77 CNR1 (0.51) CNR1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4843834 0.71 CNR1 (0.62) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4838891 0.70 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4840707 0.69 KDM1A (0.38) CYP3A4CYP2C9PSDUSP2ALDH1A1
SCHEMBL4836643 0.69 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL4832075 0.69 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4838798 0.68 CNR1 (0.69) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4839993 0.67 CNR1 (0.57) CNR1CYP3A4CYP2C9CYP2C19PSD
SCHEMBL4835555 0.67 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19PSD

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
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
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 CNR1 1/4885CYP3A4 537/4885CYP2C9 487/4885

“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.