SCHEMBL4840650

SCHEMBL4840650

CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(N3CCC3)n2c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.42
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
NR1H3 Q13133 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CRHR1 P34998 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL14003387 0.97 CNR1 (0.42) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14003402 0.92 MAPT (0.38) CNR1CYP3A4LMNAMAPTNPSR1
SCHEMBL4832103 0.91 KMT2A (0.44) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14003401 0.87 CNR1 (0.41) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4841505 0.86 CNR1 (0.41) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4840322 0.85 CNR1 (0.36) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14003399 0.83 CNR1 (0.43) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4840295 0.81 KDM4E (0.42) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14003380 0.80 CNR1 (0.38) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4839530 0.79 CNR1 (0.44) CNR1CYP3A4CYP2C9CYP2C19

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.