SCHEMBL4867917

SCHEMBL4867917

O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.56
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
AVPR2 P30518 7/20 0.42
AVPR1A P37288 7/20 0.42
DGAT2 Q96PD7 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR3C1 P04150 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4871547 0.93 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4865103 0.92 CNR1 (0.55) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4864078 0.92 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4871557 0.92 CNR1 (0.62) CNR1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4873089 0.90 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4872141 0.88 AVPR2 (0.45) CNR1AVPR2AVPR1AMEN1KMT2A
SCHEMBL4868741 0.87 CNR1 (0.61) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL4491834 0.83 CNR1 (0.51) CNR1CYP3A4CYP2C9CYP2C19AVPR2
SCHEMBL14280862 0.81 CNR1 (0.42) CNR1AVPR2AVPR1A
SCHEMBL13593484 0.81 DGAT2 (0.40) CNR1CYP3A4CYP2C9CYP2C19DGAT2

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-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
WO-2006138656-A2 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators 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-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators CNR1, CNR2, GPR18 CNR1 1/4885CYP3A4 382/4885CYP2C9 226/4885

“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.