SCHEMBL3550859

SCHEMBL3550859

Fc1cc(-c2ccc(Cl)cc2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
MAP4K4 O95819 3/20 0.41
AAK1 Q2M2I8 1/20 0.41
CYP1A2 P05177 1/20 0.40
KCNH2 Q12809 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
CYP11B2 P19099 1/20 0.39
PTGS2 P35354 1/20 0.39
TDO2 P48775 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL1013673 0.82 AAK1 (0.46) MAP4K4AAK1NPC1RAB9A
SCHEMBL1955649 0.81 ABL1 (0.42) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL6119376 0.81 AAK1 (0.42) MAP4K4AAK1CYP11B2PTGS2NPC1
SCHEMBL3559559 0.80 NPC1 (0.43) MAP4K4NPC1RAB9A
SCHEMBL1958251 0.78 MAP4K4 (0.40) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL27873306 0.77 FYN (0.47) AAK1KCNH2PTGS2
SCHEMBL21598611 0.74 BACE1 (0.39) AAK1CYP1A2CYP11B2BACE1
SCHEMBL6118497 0.74 HSD17B1 (0.47) MAPK14
SCHEMBL6118891 0.74 BIRC5 (0.40) AAK1MEN1NPC1RAB9AKMT2A
SCHEMBL30919866 0.73 RPS6KA3 (0.44) MAP4K4PTGS2TDO2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138657-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 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 (3 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-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 receptor modulators CNR1, CNR2, GPR18 AHR 285/4885MAP4K4 2993/4885AAK1 883/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 AHR 650/4885MAP4K4 1202/4885AAK1 563/4885
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 AHR 285/4885MAP4K4 2993/4885AAK1 883/4885

“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.