SCHEMBL4865103

SCHEMBL4865103

O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3F)nn12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.55
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
SIGMAR1 Q99720 1/20 0.39
NR3C1 P04150 1/20 0.37
AVPR2 P30518 3/20 0.37
AVPR1A P37288 3/20 0.37
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL4867917 0.92 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4864078 0.91 CNR1 (0.59) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4871557 0.91 CNR1 (0.62) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4873089 0.90 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4871547 0.89 CNR1 (0.56) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4868741 0.86 CNR1 (0.61) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4872141 0.80 AVPR2 (0.45) CNR1AVPR2AVPR1ALMNANPSR1
SCHEMBL4873206 0.78 CNR1 (0.48) CNR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4491834 0.77 CNR1 (0.51) CNR1CYP3A4CYP2C9CYP2C19NR3C1
SCHEMBL4475339 0.77 CNR1 (0.54) CNR1CYP3A4CYP2C9CYP2C19NR3C1

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.