SCHEMBL410129

SCHEMBL410129

CNC(C)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.59
POLB P06746 1/20 0.52
CYP2D6 P10635 2/20 0.51
AOC3 Q16853 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
PRKG1 Q13976 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL10305652 1.00 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL413322 1.00 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL8285877 1.00 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL19286306 0.85 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL7862921 0.85 CASR (0.59) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL12870263 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL14438388 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL7903255 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL28508849 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1
SCHEMBL13740795 0.83 CASR (0.58) CASRPOLBCYP2D6AOC3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233465-B1 PREPARATION METHOD OF RIVASTIGMINE, ITS INTERMEDIATES AND PREPARATION METHOD OF THE INTERMEDIATES SHANGHAI INST PHARMACEUTICAL IND (CN) 2017-06-28 EP disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2961745-B1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-8691864-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof HORIZON THERAPEUTICS USA, INC. (SUCCESSOR IN INTEREST TO RAPTOR PHARMACEUTICAL CORP.) 2014-04-08 US disclosed
US-8420846-B2 Process for producing (S)-3-[(1-dimethylamino)ethyl] phenyl-N-ethyl-N-methyl-carbamate via novel intermediates JUBILANT LIFE SCIENCES LIMITED (IN) 2013-04-16 US disclosed
US-8324429-B2 Preparation method of rivastigmine, its intermediates and preparation method of the intermediates SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2012-12-04 US disclosed
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof National Institute of Health (NIH) 2012-11-22 US disclosed
US-8258172-B2 Agents useful for reducing amyloid precursor protein and treating dementia and methods of use thereof RAPTOR PHARMACEUTICAL CORP (US) 2012-09-04 US disclosed
US-20070219241-A1 Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation ALMA MATER STUDIORUM-UNIVERSITA'DI BOLOGNA (IT) 2007-09-20 US disclosed
US-20070219241-A1 Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation ALMA MATER STUDIORUM-UNIVERSITA'DI BOLOGNA (IT) 2007-09-20 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
WO-2007029106-A1 ISOQUINOLINES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2007-03-15 WO disclosed
WO-2007014973-A2 METHOD OF OBTAINING PHENYL CARBAMATES INTERQUIM, S.A. (ES) 2007-02-08 WO disclosed
US-7153882-B2 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-12-26 US disclosed
US-20060270729-A1 Agents useful for reducing amylioid precursor protein and treating dementia and methods of use thereof GREIG NIGEL H 2006-11-30 US disclosed
US-20040138282-A1 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof HORIZON THERAPEUTICS USA, INC. (SUCCESSOR IN INTEREST TO RAPTOR PHARMACEUTICAL CORP.) 2004-07-15 US disclosed
EP-1349858-A2 AGENTS USEFUL FOR REDUCING AMYLOID PRECURSOR PROTEIN AND TREATING DEMANTIA AND METHODS OF USE THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-10-08 EP disclosed
WO-2002048150-A2 AGENTS USEFUL FOR REDUCING AMYLOID PRECURSOR PROTEIN AND TREATING DEMANTIA AND METHODS OF USE THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-06-20 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 (5 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-20070219241-A1 Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation OTC, PSEN2, PSEN1 CASR 4628/4885POLB 331/4885CYP2D6 388/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CASR 381/4885POLB 4086/4885CYP2D6 415/4885
US-20060270729-A1 Agents useful for reducing amylioid precursor protein and treating dementia and methods of use thereof IAPP, APP, BACE1 CASR 1956/4885POLB 4380/4885CYP2D6 4487/4885
US-20120295946-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 CASR 1945/4885POLB 3776/4885CYP2D6 3566/4885
US-20040138282-A1 Agents useful for reducing amyloid precursor protein and treating demantia and methods of use thereof APP, BACE1, CTH CASR 2112/4885POLB 3262/4885CYP2D6 2396/4885

“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.