SCHEMBL4395903

SCHEMBL4395903

Oc1nnc(Cl)c(-c2ccc(Cl)cc2)c1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.46
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LSS P48449 1/20 0.40
CYP19A1 P11511 2/20 0.39
MAPK14 Q16539 4/20 0.38
AKT1 P31749 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
CASP1 P29466 1/20 0.37

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
SCHEMBL3583299 0.94 GCGR (0.50) GCGRLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL4391202 0.91 CASP1 (0.40) LMNAKDM4ERAB9ASMN1; SMN2GAA
SCHEMBL3558118 0.89 GCGR (0.55) GCGRLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL3577494 0.84 ALOX5 (0.43) LMNAKDM4ERAB9ASMN1; SMN2GAA
SCHEMBL3561069 0.78 LMNA (0.47) LMNAKDM4ERAB9ASMN1; SMN2GAA
SCHEMBL4390766 0.77 L3MBTL1 (0.49) LMNAKDM4ERAB9ASMN1; SMN2FLT3
SCHEMBL196861 0.73 GCGR (0.67) GCGRLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL27647803 0.72 GCGR (0.43) GCGRLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL4805328 0.72 GCGR (0.43) GCGRLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL14380546 0.70 GCGR (0.48) GCGRLMNAKDM4ERAB9ASMN1; SMN2

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 9 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
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
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
CN-101238128-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2008-08-06 CN 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 (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-20060287323-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 GCGR 463/4885LMNA 4393/4885KDM4E 1178/4885

“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.