SCHEMBL4798385

SCHEMBL4798385

O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)cnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 1.00
CYP2C9 P11712 6/20 0.63
CYP2C19 P33261 6/20 0.63
CYP3A4 P08684 5/20 0.63
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL14211892 0.95 CNR1 (0.91) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14211170 0.93 CNR1 (0.86) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14181070 0.92 CNR1 (0.85) CNR1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL14181112 0.92 CNR1 (0.85) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14211173 0.92 CNR1 (0.85) CNR1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL14212434 0.92 CNR1 (0.85) CNR1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL14211180 0.91 CNR1 (0.84) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14212433 0.91 CNR1 (0.84) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14212187 0.91 CNR1 (0.84) CNR1CYP2C9CYP2C19CYP3A4NR3C1
SCHEMBL14210241 0.91 CNR1 (0.84) CNR1CYP2C9CYP2C19CYP3A4NR3C1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR CNR1 1/4885CYP2C9 415/4885CYP2C19 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.