SCHEMBL3552079

SCHEMBL3552079

Clc1ccc(-c2cc3nnc(NC4CCCCC4)n3nc2-c2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CNR1 P21554 13/20 0.40
OPRL1 P41146 1/20 0.38
ALOX5 P09917 1/20 0.38
CNR2 P34972 7/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
BACE1 P56817 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
SCHEMBL13593106 0.82 GRM2 (0.45) CNR1CNR2ALDH1A1GAAHPGD
SCHEMBL13593113 0.81 CNR1 (0.52) CNR1CNR2
SCHEMBL3552060 0.80 CNR1 (0.39) CNR1CNR2
SCHEMBL3552080 0.79 TP53 (0.42) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL4872806 0.79 CNR1 (0.41) CNR1CNR2
SCHEMBL3558149 0.79 CNR1 (0.37) CNR1CNR2
SCHEMBL3552117 0.77 CNR1 (0.43) CNR1CNR2KDM4EALDH1A1
SCHEMBL4400733 0.76 CNR1 (0.43) MAPTCNR1CNR2KDM4EALDH1A1
SCHEMBL13593112 0.75 MEN1 (0.45) CNR1CNR2
SCHEMBL4867191 0.74 CNR1 (0.42) CNR1CNR2

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 11 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
WO-2006138657-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS 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 (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-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 receptor modulators CNR1, CNR2, GPR18 MAPT 4012/4885CNR1 1/4885OPRL1 20/4885
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 MAPT 4012/4885CNR1 1/4885OPRL1 20/4885

“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.