SCHEMBL1365145

SCHEMBL1365145

CC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.72
NR1H2 P55055 1/20 0.63
HDAC6 Q9UBN7 3/20 0.53
HDAC8 Q9BY41 1/20 0.53
GPR119 Q8TDV5 1/20 0.48
MAPK1 P28482 3/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ABHD6 Q9BV23 2/20 0.46
HDAC1 Q13547 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL1787596 0.92 ESR2 (0.60) ESR2NR1H2HDAC6HDAC8GPR119
SCHEMBL23124701 0.90 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8GPR119
SCHEMBL306991 0.90 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL29406723 0.90 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL8280135 0.89 ESR2 (0.56) ESR2NR1H2HDAC6HDAC8GPR119
SCHEMBL29835137 0.89 ESR2 (0.56) ESR2NR1H2HDAC6HDAC8GPR119
SCHEMBL14063061 0.88 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8GPR119
SCHEMBL4689450 0.88 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL14063092 0.87 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1
Potassium Ion SCHEMBL4428007 0.87 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463362-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-03 EP disclosed
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-04-28 US disclosed
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-11-05 US disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 US disclosed
EP-3463362-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS Merck Sharp & Dohme Corp. (US) 2019-04-10 EP disclosed
WO-2017205193-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 WO disclosed
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP disclosed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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 (9 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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ESR2 1432/4885NR1H2 1613/4885HDAC6 3833/4885
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 365/4885NR1H2 24/4885HDAC6 2717/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 ESR2 366/4885NR1H2 24/4885HDAC6 2621/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ESR2 1432/4885NR1H2 1613/4885HDAC6 3833/4885
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC ESR2 3134/4885NR1H2 575/4885HDAC6 332/4885
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR NAMPT, NADK, NNT ESR2 3548/4885NR1H2 3390/4885HDAC6 636/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 366/4885NR1H2 24/4885HDAC6 2621/4885
US-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ESR2 1855/4885NR1H2 2644/4885HDAC6 1508/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT ESR2 4495/4885NR1H2 2307/4885HDAC6 42/4885

“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.