SCHEMBL1244096

SCHEMBL1244096

COCc1ncccc1C#Cc1csc(C)n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.67
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
SCHEMBL4143647 0.80 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL5653763 0.77 GRM5 (0.70) GRM5CYP1A2CYP2D6
SCHEMBL4156970 0.77 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL14573619 0.77 GRM5 (0.70) GRM5CYP1A2CYP2D6
SCHEMBL4142443 0.75 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL4145767 0.73 GRM5 (0.72) GRM5CYP1A2CYP2D6
SCHEMBL4160952 0.72 GRM5 (0.71) GRM5CYP1A2CYP2D6
SCHEMBL4291588 0.72 GRM5 (1.00) GRM5
SCHEMBL5821144 0.72 GRM5 (0.64) GRM5CYP1A2CYP2D6
SCHEMBL15049682 0.71 GRM5 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609852-B2 Thiazolyl mGluR5 antagonists and methods for their use MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
EP-2380889-B1 Thiazolyl MGLUR5 antagonists and methods for their use MERCK SHARP & DOHME (US) 2013-06-26 EP disclosed
US-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2012-11-15 US disclosed
US-8242143-B2 Thiazolyl mGluR5 antagonists and methods for their use MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
EP-2380889-A2 Thiazolyl MGLUR5 antagonists and methods for their use Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
CN-101223166-B Thiazolyl MGLUR5 antagonists and methods for their use MERCK & CO INC 2011-10-19 CN disclosed
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use MERCK SHARP & DOHME CORP. (US) 2011-09-22 US disclosed
EP-1893608-B1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
US-7879882-B2 glutamate receptor antagonists such as 3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile, used for the treatment of ischemia, , schizophrenia, obesity, attention deficit disorders, epilepsy, eating, cardiovacular, neurodegenerative, psychological and sleep disorders MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
EP-1893608-A4 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK & CO INC (US) 2009-04-22 EP disclosed
CN-101223166-A Thiazolyl MGLUR5 antagonists and methods for their use MERCK & CO INC (US) 2008-07-16 CN disclosed
EP-1893608-A2 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE Merck and Co., Inc. (US) 2008-03-05 EP disclosed
WO-2007050050-A2 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK & CO., INC. (US) 2007-05-03 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 (3 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-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE GRM5, GRIK5, GRM3 GRM5 1/4885CYP1A2 3144/4885CYP2D6 1534/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 GRM5 1/4885CYP1A2 3144/4885CYP2D6 1534/4885
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use GRM5, GRIK5, GRM3 GRM5 1/4885CYP1A2 3144/4885CYP2D6 1534/4885

“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.