SCHEMBL6891165

SCHEMBL6891165

CC(C)C1CC1S(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.30
GRM1 Q13255 2/20 0.30

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
SCHEMBL6891242 1.00 GRM5 (0.30) GRM5GRM1
SCHEMBL12986877 1.00 GRM5 (0.30) GRM5GRM1
SCHEMBL6890166 1.00 GRM5 (0.30) GRM5GRM1
SCHEMBL12986879 1.00 GRM5 (0.30) GRM5GRM1
SCHEMBL12989525 1.00 GRM5 (0.30) GRM5GRM1
SCHEMBL6911471 0.78 TRPM8 (0.48)
SCHEMBL12986074 0.77 GRM5 (0.33) GRM5GRM1
SCHEMBL3790118 0.77
SCHEMBL12986032 0.77 GRM5 (0.33) GRM5GRM1
SCHEMBL27815779 0.77 GRM5 (0.33) GRM5GRM1

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
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-9637498-B2 Substituted thieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2017-05-02 US disclosed
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-01-26 US disclosed
US-9493481-B2 Substituted 5-aminothieno[2,3—C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2016-11-15 US disclosed
US-20160207935-A1 SUBSTITUTED THIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2016-07-21 US disclosed
US-8664411-B2 Tetrahydropyranochromene gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION 2011-09-29 US disclosed
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS SCHERING CORPORATION 2011-09-29 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 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 (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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 GRM5 482/4885GRM1 355/4885
US-20160207935-A1 SUBSTITUTED THIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM3, CHRM4 GRM5 24/4885GRM1 40/4885
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM4, CHRM3 GRM5 16/4885GRM1 35/4885
US-20110236400-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, APP GRM5 872/4885GRM1 653/4885

“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.