SCHEMBL188508

SCHEMBL188508

CCN(CC)Cc1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.60
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 1/20 0.40
PYCR1 P32322 1/20 0.40
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7531410 0.89 HRH3 (0.48) HRH3HDAC8HDAC6KDM4EPYCR1
SCHEMBL1009866 0.87 HRH3 (0.53) HRH3PYCR1
SCHEMBL8125076 0.84 MAPT (0.53) HRH3
SCHEMBL3024077 0.84 HRH3 (0.44) HRH3HDAC8HDAC6KDM4ETSHR
SCHEMBL8723602 0.82 HRH3 (0.52) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL996084 0.82 HRH3 (0.63) HRH3
SCHEMBL7768079 0.82 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL20768136 0.79 CHRNB2 (0.47) HRH3KDM4EPYCR1TSHR
Water SCHEMBL5507580 0.78 HRH3 (0.62) HRH3KDM4ECNR2TSHRMAPK1
SCHEMBL2463325 0.77 KCNH2 (0.44) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-10-17 US claimed
EP-3526220-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2019-08-21 EP claimed
CN-110023312-A The Compounds and methods for for preventing malarial parasite from propagating 由卫生与公众服务部部长代表的美利坚合众国 2019-07-16 CN claimed
WO-2018071836-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-04-19 WO claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP claimed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP claimed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 WO claimed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO claimed
US-5795977-A Water soluble adenosine kinase inhibitors METABASIS THERAPEUTICS, INC. (US) 1998-08-18 US claimed
EP-0836613-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-22 EP claimed
US-5726302-A SUBSTITUTED 4-AMINO PYRROLO(2,3-D) PYRIMIDINE AND PYRAZOLO(3,4-D) PYRIMIDINE NUCLEOSIDE ANALOGS GENSIA INC. (US) 1998-03-10 US claimed
WO-1996040707-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO claimed
WO-1989001932-A1 2-ALKYL AND 2-ALKENYL SUBSTITUTED 1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-03-09 WO claimed
EP-0305983-A1 2-Alkyl and 2-alkenyl substituted 1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-03-08 EP claimed

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-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, AURKB, AURKA HRH3 2850/4885HDAC8 811/4885HDAC6 24/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS HRH3 271/4885HDAC8 446/4885HDAC6 242/4885

“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.