SCHEMBL3550447

SCHEMBL3550447

NNc1nnc(Cl)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.47
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KCNH2 Q12809 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 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
SCHEMBL3561069 0.81 LMNA (0.47) KDM4ESMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4808609 0.77 KDM4E (0.39) GOT1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL4049604 0.75 KDM4E (0.41) GOT1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL4801865 0.73 TDO2 (0.35) KDM4ESMN1; SMN2MAPTLMNAHTT
SCHEMBL3558118 0.71 GCGR (0.55) KDM4ESMN1; SMN2MAPTLMNARAB9A
SCHEMBL4800478 0.70 MAPT (0.40) KDM4ESMN1; SMN2MAPTLMNAHTT
SCHEMBL4391202 0.69 CASP1 (0.40) KDM4ESMN1; SMN2MAPTLMNAHTT
SCHEMBL4841626 0.69 KDM4E (0.41) KDM4ESMN1; SMN2MAPTLMNAHTT
SCHEMBL4872895 0.67 MAPT (0.41) GOT1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL4805736 0.66 KDM4E (0.42) GOT1KDM4ESMN1; SMN2MAPTLMNA

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
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 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
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
EP-1891074-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2008-02-27 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 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
EP-1697371-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
US-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 US disclosed
WO-2005063762-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO 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 GOT1 4506/4885KDM4E 1178/4885SMN1; SMN2 3763/4885
US-20050171110-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 GOT1 4457/4885KDM4E 1176/4885SMN1; SMN2 3280/4885

“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.