SCHEMBL1708378

SCHEMBL1708378

N#Cc1ccc(-c2c(-c3ccc(Cl)cc3)cn[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 2/20 0.41
CNR1 P21554 5/20 0.40
MAPT P10636 3/20 0.39
IDO1 P14902 1/20 0.39
NOTUM Q6P988 1/20 0.38
MAP2 P11137 1/20 0.38
MDM2 Q00987 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8217056 0.93 NOTUM (0.43) IDO1NOTUMMAOBMEN1KMT2A
SCHEMBL4049176 0.88 MAPT (0.47) MAPTNOTUMMEN1USP2CYP1A2
SCHEMBL4806075 0.81 MAPK14 (0.46) CNR1MAPTMEN1USP2CYP1A2
SCHEMBL12191418 0.78 MAPT (0.39) MAPTNOTUMMEN1USP2CYP1A2
SCHEMBL1756076 0.76 NOTUM (0.46) PSDCNR1MAPTIDO1NOTUM
SCHEMBL27470080 0.76 MAPT (0.38) MAPTNOTUMMEN1USP2CYP1A2
SCHEMBL1706670 0.75 NOTUM (0.41) PSDCNR1MAPTIDO1NOTUM
SCHEMBL4806930 0.74 GRIN2D (0.41) MAPTNOTUMMEN1USP2CYP1A2
SCHEMBL4804927 0.74 MAPT (0.48) MAPTNOTUMMEN1USP2CYP1A2
SCHEMBL10156475 0.72 PSD (0.41) PSDCNR1MAPTIDO1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891074-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
EP-1891074-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
EP-2094705-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-04-18 EP disclosed
EP-2094705-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-04-18 EP disclosed
US-8030306-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-04 US disclosed
US-8030306-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-04 US disclosed
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US disclosed
WO-2008076810-A9 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-07-30 WO disclosed
WO-2008076810-A9 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-07-30 WO disclosed
EP-1891074-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2008-02-27 EP disclosed
WO-2006138682-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287323-A1 Azabicyclic heterocycles as cannabinoid 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 (2 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-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 PSD 2845/4885CNR1 1/4885MAPT 4469/4885
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, ARRB1 PSD 3255/4885CNR1 1/4885MAPT 4640/4885

“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.