SCHEMBL14932859

SCHEMBL14932859

Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCO[C@@H](C(F)(F)F)C4)ccc23)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 20/20 1.00
▸ KCNH2 Q12809 2/20 1.00
▸ CACNA1C Q13936 1/20 1.00
▸ GRM3 Q14832 1/20 1.00

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
SCHEMBL16162647 1.00 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL18799971 1.00 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL16168970 0.94 GRM2 (0.88) GRM2KCNH2CACNA1CGRM3
SCHEMBL18895607 0.94 GRM2 (0.88) GRM2KCNH2CACNA1CGRM3
SCHEMBL14933170 0.92 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL14933168 0.91 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL14932928 0.91 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL14932927 0.91 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL16162700 0.91 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3
SCHEMBL14932926 0.90 GRM2 (1.00) GRM2KCNH2CACNA1CGRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775841-B1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-09-13 — — EP disclosed
EP-2775841-B1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-09-13 — — EP disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 — — US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 — — US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 — — US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 — — US disclosed
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 — — US disclosed
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 — — US disclosed
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 — — US disclosed
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 — — US disclosed
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 — — US disclosed
US-9278960-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-03-08 — — US disclosed
US-9278960-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-03-08 — — US disclosed
US-9278960-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-03-08 — — US disclosed
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-10-16 — — US disclosed
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-10-16 — — US disclosed
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-10-16 — — US disclosed
WO-2013066736-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2013-05-10 — — 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-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B GRM2 6/4885KCNH2 1242/4885CACNA1C 596/4885
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B GRM2 6/4885KCNH2 1242/4885CACNA1C 596/4885
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIA2, GRIN2B GRM2 6/4885KCNH2 1255/4885CACNA1C 600/4885

“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.

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