SCHEMBL4867807

SCHEMBL4867807

Clc1ccc(-c2cc(Cl)nnc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
CASP1 P29466 1/20 0.40
PTGS2 P35354 1/20 0.38
TDO2 P48775 1/20 0.37
MAP4K4 O95819 3/20 0.37
CYP1A2 P05177 2/20 0.36
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
RPA1 P27694 1/20 0.35
MAOB P27338 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
SCHEMBL30041839 0.83 CYP2A6 (0.43) TDP1CASP1CYP1A2HTTKMT2A
SCHEMBL527009 0.83 CYP2A6 (0.43) TDP1CASP1CYP1A2HTTKMT2A
SCHEMBL30453161 0.81 CASP1 (0.41) TDP1CASP1MAPTSMN1; SMN2GCGR
SCHEMBL2646929 0.81 CASP1 (0.41) TDP1CASP1MAPTSMN1; SMN2GCGR
SCHEMBL1013642 0.79 CASP1 (0.47) AHRCASP1CYP1A2MAOB
SCHEMBL3024901 0.78 TDO2 (0.45) TDO2SMN1; SMN2MAOB
SCHEMBL18952324 0.76 PARP1 (0.34) TDP1CASP1PTGS2MAPK14MAOB
SCHEMBL29414736 0.75 GSTP1 (0.48) CYP1A2SMN1; SMN2MAOB
SCHEMBL4872895 0.75 MAPT (0.41) AHRCASP1PTGS2TDO2MAP4K4
SCHEMBL3648562 0.75 GSTP1 (0.48) CYP1A2SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
US-7317012-B2 Bicyclic heterocycles as cannabinoind-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-08 US disclosed
WO-2006138656-A2 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287322-A1 Bicyclic heterocycles as cannabinoind-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 (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-20060287322-A1 Bicyclic heterocycles as cannabinoind-1 receptor modulators CNR1, CNR2, GPR18 AHR 229/4885TDP1 2792/4885CASP1 696/4885

“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.