SCHEMBL4832024

SCHEMBL4832024

Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(NCc3ccc(C(F)(F)F)nc3)n2c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
BCDIN3D Q7Z5W3 2/20 0.40
MAPT P10636 2/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
FABP4 P15090 1/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL4832075 0.91 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL14003390 0.87 ALDH1A1 (0.44) CNR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4836936 0.87 PDE2A (0.45) CNR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14003391 0.82 MAPT (0.52) CNR1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4838891 0.82 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4838849 0.78 CNR1 (0.44) CNR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4843834 0.78 CNR1 (0.62) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14003395 0.78 CNR1 (0.42) CNR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4832017 0.77 CNR1 (0.44) CNR1CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4836643 0.76 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19NR3C1

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 1/4885CYP3A4 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.