SCHEMBL1554818

SCHEMBL1554818

O=C(Cl)Cl.c1csc(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HCAR2 Q8TDS4 1/20 0.44
BRD4 O60885 4/20 0.44
DPP4 P27487 1/20 0.43
HSD17B10 Q99714 2/20 0.41
BRDT Q58F21 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TSHR P16473 1/20 0.40
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL497608 0.87
Hydrochloric Acid SCHEMBL11286601 0.84
SCHEMBL23108078 0.81 MAPT (0.47) POLBMAPTGAAHCAR2BRD4
Cyanide SCHEMBL27408712 0.80 MAPT (0.46) POLBMAPTGAAHCAR2BRD4
Methylamine SCHEMBL28610020 0.80 MAPT (0.46) POLBMAPTGAAHCAR2BRD4
Dimethylamine SCHEMBL28162388 0.78 MAPT (0.44) POLBMAPTGAAHCAR2BRD4
SCHEMBL8133890 0.78
SCHEMBL498606 0.78 MAPT (0.47) POLBMAPTGAAHCAR2BRD4
Acetic Acid SCHEMBL11173187 0.77 BRD4 (0.47) POLBMAPTGAAHCAR2BRD4
SCHEMBL4379122 0.77 ALDH1A1 (0.44) POLBMAPTGAAHCAR2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486011-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
US-8304577-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-2486011-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 US disclosed
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-06 US disclosed
WO-2011044225-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
WO-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO 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-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 POLB 4684/4885MAPT 4526/4885GAA 4008/4885
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 POLB 4684/4885MAPT 4526/4885GAA 4008/4885

“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.