SCHEMBL3458329

SCHEMBL3458329

Cc1nc(C#Cc2ccc(-c3cccnc3)nc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 1.00
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69

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
SCHEMBL7419236 0.87 GRM5 (1.00) GRM5
SCHEMBL7420366 0.87 GRM5 (1.00) GRM5
SCHEMBL31061061 0.87 GRM5 (1.00) GRM5
SCHEMBL11966035 0.82 GRM5 (0.77) GRM5
SCHEMBL5794129 0.82 GRM5 (0.70) GRM5CYP1A2CYP2D6
SCHEMBL187254 0.82 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL30273059 0.82 GRM5 (1.00) GRM5CYP1A2CYP2D6
SCHEMBL11966033 0.82 GRM5 (0.81) GRM5
Hydrochloric Acid SCHEMBL1803964 0.81 GRM5 (0.97) GRM5CYP1A2CYP2D6
SCHEMBL7425347 0.81 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149721-A1 Methods for Inhibiting Amyloid Precursor Protein and Beta-Amyloid Production and Accumulation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-06-13 US disclosed
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-15 US disclosed
WO-2010031114-A1 NOVEL RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD (AU) 2010-03-25 WO disclosed
US-20090239888-A1 Methods for Inhibiting Amyloid Precursor Protein and Beta-Amyloid Production and Accumulation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-09-24 US disclosed
US-20090192199-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-30 US disclosed
EP-2010174-A2 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION The Regents of the University of California (US) 2009-01-07 EP disclosed
WO-2007124348-A2 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 WO disclosed
US-20070060618-A1 Alkyne derivatives as tracers for metabotropic glutamate receptor binding MERCK & CO., INC. (US) 2007-03-15 US 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-20090192199-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 13/4885CYP1A2 4845/4885CYP2D6 4853/4885
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 15/4885CYP1A2 4845/4885CYP2D6 4854/4885
US-20070060618-A1 Alkyne derivatives as tracers for metabotropic glutamate receptor binding GRM5, GRM3, GRIK5 GRM5 1/4885CYP1A2 2258/4885CYP2D6 1435/4885
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 GRM5 15/4885CYP1A2 4845/4885CYP2D6 4854/4885

“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.