SCHEMBL4838849

SCHEMBL4838849

CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(NCc3ccc(C(F)(F)F)cc3)n2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
P2RX3 P56373 1/20 0.39
PDE2A O00408 1/20 0.39
PRLHR P49683 2/20 0.38
F2 P00734 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 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
SCHEMBL4836936 0.91 PDE2A (0.45) CNR1CYP3A4CYP2C9CYP2C19P2RX3
SCHEMBL14003389 0.89 CNR1 (0.48) CNR1CYP3A4CYP2C9CYP2C19F2
SCHEMBL4832075 0.88 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL14003395 0.83 CNR1 (0.42) CNR1CYP3A4CYP2C9CYP2C19F2
SCHEMBL4836604 0.80 CNR1 (0.48) CNR1CYP3A4CYP2C9CYP2C19P2RX3
SCHEMBL4835537 0.80 KDM4E (0.49) CNR1CYP3A4CYP2C9P2RX3RAB9A
SCHEMBL14003391 0.78 MAPT (0.52) CNR1PDE2AF2RAB9AGAA
SCHEMBL4832024 0.78 CNR1 (0.51) CNR1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL14003392 0.77 ALDH1A1 (0.41) CNR1P2RX3GAAMAPTPOLB
SCHEMBL4841651 0.75 CNR1 (0.45) CNR1CYP3A4CYP2C9CYP2C19NR1H2

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 4 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
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.