SCHEMBL679199

SCHEMBL679199

O=C(NC1CCCCC1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
POLB P06746 4/20 0.70
HSD17B10 Q99714 1/20 0.70
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL13380 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8392088 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8396675 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8395096 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL25708013 1.00 HTT (1.00) HTTPOLBHSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27819236 0.98 HTT (0.96) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8391614 0.98 HTT (0.96) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL4397011 0.96 HTT (0.92) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8393766 0.96 HTT (0.92) HTTPOLBHSD17B10KDM4EALDH1A1
SCHEMBL8393313 0.93 HTT (0.88) HTTPOLBHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367867-B1 COMPOUNDS WITH GUANIDINE STRUCTURE AND USES THEREOF AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2018-01-03 EP disclosed
CN-104395292-B 1 substituted indazole derivative 大日本住友制药株式会社 2017-03-01 CN disclosed
US-8871889-B2 Compounds with guanidine structure and uses thereof as organopolysiloxane polycondensation catalysts BLUESTAR SILICONES FRANCE SAS (FR) 2014-10-28 US disclosed
CN-102575011-B Silicone composition crosslinkable by dehydrocondensation in the presence of a non-metallic catalyst BLUESTAR SILICONES FRANCE 2014-03-12 CN disclosed
US-20130253134-A1 COMPOUNDS WITH GUANIDINE STRUCTURE AND USES THEREOF AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2013-09-26 US disclosed
EP-2443208-B1 METHOD FOR COATING A TIN-FREE SILICON COMPOSITION ON A FLEXIBLE MEDIUM BLUESTAR SILICONES FRANCE (FR) 2013-09-04 EP disclosed
US-8519079-B2 Compounds with guanidine structure and uses thereof as organopolysiloxane polycondensation catalysts BLUESTAR SILICONES FRANCE SAS (FR) 2013-08-27 US disclosed
US-8513370-B2 Method for sealing and assembling components of a drive train BLUESTAR SILICONES FRANCE SAS (FR) 2013-08-20 US disclosed
CN-102459491-B Method for sealing and assembling components of a drive train BLUESTAR SILICONES FRANCE 2013-08-07 CN disclosed
EP-2440628-B1 METHOD FOR SEALING AND ASSEMBLING COMPONENTS OF A DRIVE TRAIN BLUESTAR SILICONES FRANCE (FR) 2013-07-31 EP disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-7507753-B2 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2009-03-24 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
US-20050096359-A1 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed
EP-1466904-A1 BIARYL COMPOUND AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-4240954-A CYCLOHEXYL UREAS OR THIOUREAS AMERICAN CYANAMID COMPANY (US) 1980-12-23 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 (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-20050096359-A1 melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride MC4R, MC3R, MC1R HTT 636/4885POLB 4074/4885HSD17B10 1128/4885

“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.