SCHEMBL47365

SCHEMBL47365

NCNC(=O)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC6 Q9UBN7 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
NAAA Q02083 1/20 0.52
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
HPGD P15428 2/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 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
SCHEMBL14026314 0.93
Hydrochloric Acid SCHEMBL28929577 0.91 SMN1; SMN2 (0.53) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8
SCHEMBL7877130 0.88
Hydrochloric Acid SCHEMBL22394902 0.86
SCHEMBL23419143 0.83 NAAA (0.58) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8
SCHEMBL61158 0.83 NAAA (0.58) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8
SCHEMBL19757607 0.81 EPHX1 (0.65) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8
SCHEMBL3184451 0.81 NAAA (0.66) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8
SCHEMBL4678443 0.80 NAAA (0.55) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8
SCHEMBL13300769 0.79 NAAA (0.64) EPHX1SMN1; SMN2HSD17B10HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-0641781-B1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 2000-07-26 EP claimed
JP-4187666-A None JP disclosed
JP-2124096-A None JP disclosed
US-9120776-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
WO-2011157748-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING PESTS NOVARTIS AG (CH) 2011-12-22 WO disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
EP-0956031-B1 INHIBITION OF 26 S AND 20 S PROTEASOME BY INDANONES CV THERAPEUTICS INC (US) 2005-06-15 EP disclosed
JP-2002322138-A METHOD FOR PRODUCING AMINOMETHYLCYCLOHEXANECARBOOXYLIC ACID MITSUBISHI GAS CHEM CO INC 2002-11-08 JP disclosed
EP-1087940-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-04 EP disclosed
WO-1999067203-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed
EP-0669317-A1 Prolineamide derivatives Mitsubishi Chemical Corporation (JP) 1995-08-30 EP disclosed
JP-H04187666-A CYCLOHEXANECARBOXAMIDE DERIVATIVE, ENZYMIC INHIBITOR AND ANTIULCER AGENT ASAHI CHEM IND CO LTD 1992-07-06 JP disclosed
JP-H02124096-A PREPARATION OF TRANS-4-CYANOCYCLOHEXANECARBOXYLIC ACID AMIDE ASAHI CHEM IND CO LTD 1990-05-11 JP 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 (1 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-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA EPHX1 2492/4885SMN1; SMN2 3372/4885HSD17B10 801/4885

“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.