SCHEMBL2935692

SCHEMBL2935692

NCCc1cccc(OCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.65
PPARG P37231 1/20 0.65
LMNA P02545 1/20 0.57
ACHE P22303 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ALOX15 P16050 1/20 0.55
PTGIR P43119 2/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
PTPN7 P35236 1/20 0.50
FFAR1 O14842 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 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
SCHEMBL2936246 0.87 PPARA (0.60) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL29403718 0.87 PPARA (0.60) PPARAPPARGLMNAALOX15PTPN7
Hydrochloric Acid SCHEMBL4933711 0.85 PPARA (0.58) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL7418117 0.85 PPARA (0.67) PPARAPPARGLMNAALOX15PTGIR
SCHEMBL2769715 0.84 PPARA (0.74) PPARAPPARGLMNAALOX15PTGIR
SCHEMBL13141347 0.83 PPARA (0.53) PPARAPPARGLMNAACHETAAR1
SCHEMBL3169110 0.83 PPARA (0.72) PPARAPPARGLMNAALOX15PTGIR
SCHEMBL7989273 0.82 CYSLTR2 (0.54) PPARAPPARGACHETAAR1PTGDR2
SCHEMBL7049768 0.81 LMNA (0.62) PPARAPPARGLMNAALOX15PTPN7
SCHEMBL4465276 0.81 LMNA (0.62) PPARAPPARGLMNAALOX15PTGIR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
EP-2149561-B1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC (US) 2015-09-09 EP disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 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-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
EP-0239907-B1 PHENOXYALKANECARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-18 EP disclosed
EP-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP disclosed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
CN-1045780-A The preparation of new sulfonamide derivatives BOEHRINGER MANNHEIM GMBH (DE) 1990-10-03 CN disclosed
EP-0239907-A1 Phenoxyalkanecarboxylic-acid derivatives, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-10-07 EP disclosed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP 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 (6 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARA 4099/4885PPARG 4085/4885LMNA 4629/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARA 4099/4885PPARG 4085/4885LMNA 4629/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 PPARA 4099/4885PPARG 4085/4885LMNA 4629/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARA 3771/4885PPARG 3671/4885LMNA 4611/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARA 4099/4885PPARG 4085/4885LMNA 4629/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARA 4099/4885PPARG 4085/4885LMNA 4629/4885

“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.