SCHEMBL4403256

SCHEMBL4403256

Clc1ccc(-c2cc3nnc(CC4CCNCC4)n3nc2-c2ccccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.40
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.40
CNR1 P21554 9/20 0.39
CNR2 P34972 5/20 0.39
KCNH2 Q12809 1/20 0.38
ABL1 P00519 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL3558149 0.90 CNR1 (0.37) CNR1CNR2
SCHEMBL13039584 0.88 CNR1 (0.36) CNR1CNR2
SCHEMBL12993541 0.88 CNR1 (0.38) CNR1CNR2
SCHEMBL5824072 0.84 MGLL (0.42) CNR1CNR2
SCHEMBL4403643 0.79 CACNB4 (0.45) CNR1CNR2
SCHEMBL3551780 0.79 MET (0.41) CNR1CNR2
SCHEMBL3557048 0.78 ALOX5 (0.45) CNR1CNR2
SCHEMBL13593105 0.77 MAT2A (0.41) CNR1CNR2
SCHEMBL3552117 0.75 CNR1 (0.43) CNR1CNR2
SCHEMBL13593106 0.74 GRM2 (0.45) 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 6 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-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
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 CHRM1 82/4885CHRM3 260/4885CHRM2 162/4885
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CHRM1 82/4885CHRM3 260/4885CHRM2 162/4885

“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.