SCHEMBL4836604

SCHEMBL4836604

Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)n12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.48
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX3 P56373 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CFTR P13569 1/20 0.39
EGLN3 Q9H6Z9 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
SCHEMBL14003404 0.88 CNR1 (0.46) CNR1LMNANPSR1CYP3A4CYP2C9
SCHEMBL4843834 0.88 CNR1 (0.62) CNR1LMNANPSR1CYP3A4CYP2C9
SCHEMBL4838798 0.86 CNR1 (0.69) CNR1LMNANPSR1CYP3A4CYP2C9
SCHEMBL4841651 0.84 CNR1 (0.45) CNR1NR1H2NR1H3LMNANPSR1
SCHEMBL4836343 0.84 CNR1 (0.46) CNR1NR1H2NR1H3LMNANPSR1
SCHEMBL4844568 0.84 CNR1 (0.43) CNR1NR1H2NR1H3LMNANPSR1
SCHEMBL14003407 0.84 CNR1 (0.46) CNR1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL4832107 0.83 CNR1 (0.46) CNR1NR1H2NR1H3P2RX3CYP3A4
SCHEMBL14003372 0.83 CNR1 (0.61) CNR1LMNANPSR1CYP3A4CYP2C9
SCHEMBL14003286 0.81 SLC2A1 (0.42) CNR1NR1H2NR1H3LMNACYP3A4

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 1/4885NR1H2 483/4885NR1H3 734/4885

“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.