SCHEMBL737146

SCHEMBL737146

[CH2]CCCN(CC)CCC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31

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
SCHEMBL9579283 0.90 KCNH2 (0.40) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL5265112 0.90 KCNH2 (0.40) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL128172 0.89 HRH3 (0.31) HTR1ADRD3
SCHEMBL28199223 0.86 HRH3 (0.30)
SCHEMBL128051 0.86
SCHEMBL5405932 0.85 KCNH2 (0.48) KCNH2KDM5AKDM4CPLA2G1BPLA2G2A
SCHEMBL5398325 0.85 KCNH2 (0.48) KCNH2KDM5AKDM4CPLA2G1BPLA2G2A
SCHEMBL5262504 0.84 CA12 (0.34) KCNH2KDM5AKDM4CNPSR1
SCHEMBL23451742 0.83 NPSR1 (0.38) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL736317 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8461375-B2 Method for the continuous production of alkyl(meth)acrylates with multiple catalyst recycling EVONIK RÖHM GMBH (DE) 2013-06-11 US disclosed
EP-1583733-B1 IMPROVED METHOD FOR THE CONTINUOUS PRODUCTION OF ALKYL(METH)ACRYLATES WITH MULTIPLE CATALYST RECYCLING EVONIK ROEHM GMBH (DE) 2013-04-24 EP disclosed
EP-1399409-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2012-10-31 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
WO-2002100814-A1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
WO-2002100815-A1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-3985755-A ANTHELMINTIC AGENTS AND DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-10-12 US disclosed
US-3983130-A ANTHELMINTICS, DISINFECTANTS E. R. SQUIBB & SONS, INC. (US) 1976-09-28 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 (2 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 KCNH2 2702/4885CHRM2 570/4885HTR1A 1589/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 KCNH2 299/4885CHRM2 89/4885HTR1A 121/4885

“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.