SCHEMBL4805396

SCHEMBL4805396

O=c1n(Cc2ccc(C(F)(F)F)cc2)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.75
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
P2RX3 P56373 1/20 0.41
NPBWR1 P48145 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14181128 0.96 CNR1 (0.70) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14180990 0.96 CNR1 (0.81) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181031 0.96 CNR1 (0.70) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181129 0.96 CNR1 (0.70) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181073 0.96 CNR1 (0.81) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181050 0.96 CNR1 (0.70) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181052 0.95 CNR1 (0.69) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14541356 0.95 CNR1 (0.69) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181047 0.95 CNR1 (0.69) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL14181049 0.95 CNR1 (0.69) CNR1CYP3A4CYP2C9CYP2C19NR1H2

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 1/4885CYP3A4 693/4885CYP2C9 415/4885

“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.