SCHEMBL3226743

SCHEMBL3226743

CCCCCN(CCCCC)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
CHRM2 P08172 4/20 0.49
ADRA2A P08913 4/20 0.49
DRD1 P21728 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
SLC6A2 P23975 3/20 0.49
HTR2A P28223 3/20 0.49
HRH1 P35367 3/20 0.49
ADRA1A P35348 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP2D6 P10635 6/20 0.49
CYP2C19 P33261 3/20 0.49
KDM4E B2RXH2 7/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 3/20 0.44

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
SCHEMBL9812726 0.98 KCNH2 (0.47) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL4806424 0.94 CYP2D6 (0.50) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL16491446 0.91 CHRM2 (0.60) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL16491448 0.91 CHRM2 (0.60) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL16491466 0.91 CHRM2 (0.60) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL16491456 0.91 CHRM2 (0.60) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL16491470 0.91 CHRM2 (0.60) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL38656961 0.91 CYP2D6 (0.53) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL10654586 0.89 HRH1 (0.43) KCNH2CHRM2ADRA2ADRD1SLC6A4
SCHEMBL16491465 0.88 KCNH2 (0.47) KCNH2CHRM2ADRA2ADRD1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US claimed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO claimed
US-6692905-B2 COLOR PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 2004-02-17 US claimed
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
EP-1759713-A2 Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2007-03-07 EP disclosed
EP-1749516-A2 Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2007-02-07 EP disclosed
EP-1007011-B1 LOCK AND KEY MICELLES UNIV SOUTH FLORIDA (US) 2006-12-27 EP disclosed
US-20020012892-A1 Methine compound-containing silver halide photographic emulsion and photographic material using the same FUJIFILM CORPORATION (JP) 2002-01-31 US disclosed
EP-0771190-A4 LOCK AND KEY MICELLES UNIV SOUTH FLORIDA (US) 2000-12-20 EP disclosed
US-6130209-A Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2000-10-10 US disclosed
EP-1007011-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 2000-06-14 EP disclosed
US-5863919-A Lock and key micelles and monomer building blocks therefor UNIVERSITY OF SOUTH FLORIDA (US) 1999-01-26 US disclosed
WO-1998008491-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1998-03-05 WO disclosed
US-5650101-A Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 1997-07-22 US disclosed
EP-0771190-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1997-05-07 EP disclosed
WO-1996003114-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1996-02-08 WO 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO KCNH2 920/4885CHRM2 432/4885ADRA2A 2980/4885

“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.