SCHEMBL1243386

SCHEMBL1243386

Cc1nc(C#C[Si](C)(C)C)cs1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.56
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL7387262 0.86 GRM5 (0.51) GRM5CYP1A2CYP2D6
SCHEMBL6858302 0.79 GRM5 (0.36) GRM5
SCHEMBL14006347 0.78
SCHEMBL22610105 0.78 GRM5 (0.35) GRM5CYP1A2CYP2D6
SCHEMBL4150082 0.78 GRM5 (0.46) GRM5
SCHEMBL28749297 0.77
SCHEMBL4145767 0.76 GRM5 (0.72) GRM5CYP1A2CYP2D6
SCHEMBL18873238 0.73 GRM5 (0.54) GRM5CYP1A2CYP2D6
SCHEMBL1434084 0.73 GRM5 (0.63) GRM5CYP1A2CYP2D6
SCHEMBL29384255 0.73 GRM5 (0.63) GRM5CYP1A2CYP2D6

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111900477-A High-voltage lithium ion battery electrolyte film-forming additive, electrolyte and battery thereof 松山湖材料实验室 2020-11-06 CN claimed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-11827666-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2023-11-28 US disclosed
CN-114450282-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-06 CN disclosed
WO-2021004940-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2021-01-14 WO disclosed
CN-111900477-A High-voltage lithium ion battery electrolyte film-forming additive, electrolyte and battery thereof 松山湖材料实验室 2020-11-06 CN disclosed
US-10287220-B2 Fluorination method OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-05-14 US disclosed
US-20180194767-A1 5-AROMATIC ALKYNYL SUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-12 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1556142-A4 ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING MERCK & CO INC (US) 2006-11-08 EP disclosed
CN-1845915-A Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2006-10-11 CN disclosed
EP-1664018-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-06-07 EP disclosed
EP-1556142-A2 ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING Merck & Co., Inc. (US) 2005-07-27 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO disclosed
WO-2004038374-A2 ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING MERCK & CO., INC. (US) 2004-05-06 WO disclosed
WO-2004038374-A2 ALKYNE DERIVATIVES AS TRACERS FOR METABOTROPIC GLUTAMATE RECEPTOR BINDING MERCK & CO., INC. (US) 2004-05-06 WO disclosed
EP-1214303-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001016121-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2001-03-08 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 (4 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-10287220-B2 Fluorination method F13B, PPARG, PGC GRM5 950/4885CYP1A2 316/4885CYP2D6 551/4885
US-11827666-B2 Galactoside inhibitor of galectins LGALS1, LGALS2, LGALS3 GRM5 1581/4885CYP1A2 2716/4885CYP2D6 3111/4885
US-20180194767-A1 5-AROMATIC ALKYNYL SUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF GRM5, GRIK5, GRM1 GRM5 1/4885CYP1A2 1368/4885CYP2D6 990/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 GRM5 1/4885CYP1A2 1461/4885CYP2D6 1153/4885

“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.