SCHEMBL243993

SCHEMBL243993

CCc1cnc(C(=O)O)c(CC)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
TDP1 Q9NUW8 2/20 0.35
HCAR2 Q8TDS4 2/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 4/20 0.33

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
SCHEMBL1974301 0.85 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11379033 0.78 HCAR2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1973503 0.77 GABRP (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29590421 0.77 GABRP (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31388418 0.77 JMJD6 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26963215 0.76 GABRP (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1974933 0.74 ALDH1A1 (0.38) KDM4EKMT2ACYP1A2MEN1ALDH1A1
SCHEMBL9110467 0.73 GABRP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL868001 0.72 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2086557 0.72 GABRP (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953611-B1 USE OF A COMPOSITION COMPRISING AVOCADO PERSEOSE IN THE PROTECTION OF EPIDERMAL STEM CELLS EXPANSCIENCE LAB (FR) 2021-08-18 EP claimed
US-10835468-B2 Particular pyridinedicarboxylic acid derivative/antioxidant combination L'OREAL (FR) 2020-11-17 US claimed
EP-1352629-B1 Use of a pyridine-dicarboxylic acid derivative or a salt thereof to stimulate or induce keratinic fiber growth and/or to prevent its loss OREAL (FR) 2011-06-22 EP claimed
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO disclosed
US-20110071222-A1 POTENTIATORS OF INSULIN SECRETION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-03-24 US disclosed
US-7863301-B2 Potentiators of insulin secretion WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-01-04 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
US-20050059711-A1 Potentiators of insulin secretion NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-17 US disclosed
WO-2005020977-A1 ALPHA-KETOGLUTARATE POTENTIATORS OF INSULIN SECRETION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-03-10 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 (8 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-20110071222-A1 POTENTIATORS OF INSULIN SECRETION IAPP, GPR119, PRKCSH GABRA1 791/4885GABRG2 363/4885GABRB3 272/4885
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 GABRA1 99/4885GABRG2 95/4885GABRB3 170/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 GABRA1 99/4885GABRG2 95/4885GABRB3 170/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 GABRA1 99/4885GABRG2 95/4885GABRB3 170/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 GABRA1 149/4885GABRG2 123/4885GABRB3 215/4885
US-10835468-B2 Particular pyridinedicarboxylic acid derivative/antioxidant combination GPX4, PRDX3, DPYD GABRA1 3244/4885GABRG2 3200/4885GABRB3 2735/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC GABRA1 3440/4885GABRG2 3892/4885GABRB3 3235/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 GABRA1 99/4885GABRG2 95/4885GABRB3 170/4885

“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.