SCHEMBL2953764

SCHEMBL2953764

Cc1cc2c(cc1C)OCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.64
TP53 P04637 3/20 0.58
THRB P10828 2/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 8/20 0.57
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
PARP1 P09874 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL1853066 0.86 MMP12 (0.57) MMP12TP53THRBMAPTPKM
SCHEMBL3342262 0.86 MMP12 (0.57) MMP12TP53THRBMAPTPKM
SCHEMBL305188 0.86 MMP12 (0.57) MMP12TP53THRBMAPTPKM
SCHEMBL8303156 0.86 MMP12 (0.57) MMP12TP53THRBMAPTPKM
SCHEMBL12060295 0.86 TP53 (0.57) MMP12TP53THRBMAPTPKM
SCHEMBL2947630 0.83 PKM (0.54) MMP12TP53THRBMAPTPKM
SCHEMBL13652221 0.83 MMP12 (0.54) MMP12TP53THRBMAPTPKM
SCHEMBL27434479 0.83 PKM (0.57) MMP12TP53THRBMAPTPKM
SCHEMBL13651993 0.82 MMP12 (0.53) MMP12TP53THRBMAPTPKM
SCHEMBL18184455 0.82 TP53 (0.67) TP53THRBMAPTPKMALDH1A1

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
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-09 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-7223295-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-29 US disclosed
US-7223295-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-29 US disclosed
EP-0364141-A1 Herbicidal sulfonylurea derivatives ICI AUSTRALIA LIMITED (AU) 1990-04-18 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 MMP12 436/4885TP53 2952/4885THRB 1962/4885
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 MMP12 2813/4885TP53 787/4885THRB 3342/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 MMP12 436/4885TP53 2952/4885THRB 1962/4885
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ MMP12 1905/4885TP53 4360/4885THRB 2611/4885
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ MMP12 4524/4885TP53 2133/4885THRB 2943/4885
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension UTS2R, PLAUR, FABP3 MMP12 591/4885TP53 4711/4885THRB 1363/4885

“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.