SCHEMBL4800472

SCHEMBL4800472

Clc1ccc(-c2cnnc(Cl)c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
AHR P35869 2/20 0.41
TDO2 P48775 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
MAP4K4 O95819 3/20 0.36
CYP1A2 P05177 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 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
SCHEMBL4802616 0.84 L3MBTL1 (0.37) L3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL4046888 0.82 PTGS2 (0.40) PTGS2AHRTDO2L3MBTL1MAP4K4
SCHEMBL11643429 0.80 PTGS2 (0.39) PTGS2TDO2CYP1A2MAPTKMT2A
SCHEMBL4805736 0.76 KDM4E (0.42) PTGS2AHRTDO2MAP4K4CYP1A2
SCHEMBL4798394 0.76 TDO2 (0.42) PTGS2TDO2L3MBTL1MAP4K4CYP1A2
SCHEMBL27647803 0.74 GCGR (0.43) PTGS2MAPTSMN1; SMN2
SCHEMBL4805328 0.74 GCGR (0.43) PTGS2MAPTSMN1; SMN2
SCHEMBL27664654 0.72 PTGS2 (0.38) PTGS2AHRTDO2CYP1A2MAPT
SCHEMBL27981989 0.72 NPC1 (0.44) PTGS2L3MBTL1CYP1A2MAPTSMN1; SMN2
SCHEMBL4805776 0.71 KDM4E (0.38) AHRL3MBTL1CYP1A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP disclosed
WO-2005063761-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO disclosed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR PTGS2 2265/4885AHR 595/4885TDO2 3409/4885

“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.