SCHEMBL6446263

SCHEMBL6446263

CCCN(CCC)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.53
CYP2C19 P33261 3/20 0.53
KCNH2 Q12809 5/20 0.53
CHRM2 P08172 4/20 0.53
ADRA2A P08913 4/20 0.53
DRD1 P21728 4/20 0.53
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 4/20 0.53
SLC6A2 P23975 3/20 0.53
HTR2A P28223 3/20 0.53
HRH1 P35367 3/20 0.53
ADRA1A P35348 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 1/20 0.53
OPRK1 P41145 1/20 0.53
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNA5 P22460 2/20 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
SCHEMBL17484101 0.91 KCNH2 (0.46) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL16491468 0.91 KCNH2 (0.67) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL4806424 0.88 CYP2D6 (0.50) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL17059857 0.88 HRH3 (0.45) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL10654545 0.88 KCNH2 (0.44) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL10651082 0.87 KCNH2 (0.43) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL3226743 0.86 KCNH2 (0.49) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL9812726 0.85 KCNH2 (0.47) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL38660198 0.83 CHRM2 (0.57) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL30143833 0.83 CYP2D6 (0.69) CYP2D6CYP2C19KCNH2CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465576-B1 Fluoroelastomer compositions and articles made therefrom DYNEON LLC 2002-10-15 US claimed
EP-1194462-A1 FLUOROELASTOMER COMPOSITIONS AND ARTICLES MADE THEREFROM Dyneon LLC (US) 2002-04-10 EP claimed
WO-2001002448-A1 FLUOROELASTOMER COMPOSITIONS AND ARTICLES MADE THEREFROM DYNEON LLC (US) 2001-01-11 WO claimed
EP-4234551-A2 PYRIDAZINONES AS PARP7 INHIBITORS Ribon Therapeutics Inc. (US) 2023-08-30 EP disclosed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 CN disclosed
CN-102046601-A Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2011-05-04 CN disclosed
US-7612064-B2 Sulfopyrroles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-03 US disclosed
US-7612064-B2 Sulfopyrroles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-03 US disclosed
US-7579365-B2 Indolyl-3-glyoxylic acid derivatives having antitumor action ZIOPHRAM ONCOLOGY, INC. (US) 2009-08-25 US disclosed
US-20080027110-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action ASTA MEDICA AKTIENGESELLSCHAFT 2008-01-31 US disclosed
EP-1467974-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2007-08-15 EP disclosed
US-6403852-B1 CATALYTIC ALKENYLATION OF ALKYL-SUBSTITUTED AROMATIC HYDROCARBON HAVING HYDROGEN ATOM AT ALPHA-POSITION OF SIDE CHAIN THEREOF WITH CONJUGATED DIENE SUMITOMO CHEMICAL CO., LIMITED (JP) 2002-06-11 US disclosed
EP-1194462-A1 FLUOROELASTOMER COMPOSITIONS AND ARTICLES MADE THEREFROM Dyneon LLC (US) 2002-04-10 EP disclosed
WO-2001002448-A1 FLUOROELASTOMER COMPOSITIONS AND ARTICLES MADE THEREFROM DYNEON LLC (US) 2001-01-11 WO disclosed
EP-0949230-A1 PROCESSES FOR PRODUCING ALKENYL-SUBSTITUTED AROMATIC HYDROCARBONS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-10-13 EP disclosed
EP-0466340-B1 Curing fluorocarbon elastomers MINNESOTA MINING & MFG (US) 1996-12-11 EP disclosed
EP-0350693-B1 Azetidine derivatives, process for their preparation and their use in the regulation of plant growth BASF AG (DE) 1994-09-28 EP disclosed
US-5319025-A Curing fluorocarbon elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-07 US disclosed
EP-0466340-A2 Curing fluorocarbon elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-01-15 EP disclosed
EP-0140207-A2 A process for rapidly curing a brominated fluoroelastomer E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-08 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 (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-20080027110-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action IDO1, IDO2, TDO2 CYP2D6 268/4885CYP2C19 533/4885KCNH2 2253/4885

“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.