SCHEMBL4840322

SCHEMBL4840322

O=c1n(CCC(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(N3CCC3)n12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP3A4 P08684 4/20 0.34
SLC5A2 P31639 2/20 0.34
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PSD A5PKW4 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A11 Q8WWX8 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL14003402 0.87 MAPT (0.38) CNR1LMNAMAPTCYP3A4NPSR1
SCHEMBL4840650 0.85 CNR1 (0.42) CNR1LMNAMAPTCYP2C9CYP2C19
SCHEMBL14003387 0.82 CNR1 (0.42) CNR1LMNAMAPTCYP2C9CYP2C19
SCHEMBL4836266 0.80 CNR1 (0.57) CNR1LMNAMAPTCYP2C9CYP2C19
SCHEMBL4832107 0.78 CNR1 (0.46) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL14003399 0.77 CNR1 (0.43) CNR1LMNAMAPTCYP2C9CYP2C19
SCHEMBL4844094 0.77 MAPK11 (0.35) CNR1MAPTCYP2C9CYP2C19CYP3A4
SCHEMBL14003286 0.76 SLC2A1 (0.42) CNR1LMNAMAPTCYP2C9CYP2C19
SCHEMBL4832103 0.76 KMT2A (0.44) CNR1LMNAMAPTCYP2C9CYP2C19
SCHEMBL4844088 0.76 MAPK11 (0.34) CNR1CYP2C9CYP2C19CYP3A4

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
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 1/4885LMNA 4614/4885MAPT 2322/4885

“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.