SCHEMBL2035950

SCHEMBL2035950

O=C(O)C1CCCN1Cc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CD274 Q9NZQ7 5/20 0.52
PDCD1 Q15116 2/20 0.52
CYP1A2 P05177 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
CYP2C19 P33261 1/20 0.47
SCN3A Q9NY46 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL188635 1.00 IDO1 (0.53) IDO1TDO2ALDH1A1TSHRKDM4E
SCHEMBL3712217 0.96 ALDH1A1 (0.58) IDO1TDO2ALDH1A1TSHRKDM4E
SCHEMBL3712215 0.96 ALDH1A1 (0.58) IDO1TDO2ALDH1A1TSHRKDM4E
SCHEMBL1819133 0.85 IDO1 (0.53) IDO1TDO2ALDH1A1KDM4ECD274
SCHEMBL2027597 0.85 IDO1 (0.53) IDO1TDO2ALDH1A1KDM4ECD274
SCHEMBL9154842 0.85 IDO1 (0.53) IDO1TDO2ALDH1A1KDM4ECD274
SCHEMBL2032294 0.84 CYP1A2 (0.51) CD274PDCD1CYP1A2CYP2C19SPHK1
SCHEMBL1817183 0.84 CYP1A2 (0.51) CD274PDCD1CYP1A2CYP2C19SPHK1
SCHEMBL3148407 0.84 CYP1A2 (0.51) CD274PDCD1CYP1A2CYP2C19SPHK1
SCHEMBL2029008 0.83 MAOA (0.60) IDO1TDO2ALDH1A1KDM4ECD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174077-B2 Method of inhibiting activity of cell surface fibroblast activation protein alpha THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-01-08 US disclosed
US-10155789-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-18 US disclosed
US-20170260231-A1 Substrates and Inhibitors of Prolyl Oligopeptidase and Methods of Use Thereof UNIV OKLAHOMA (US) 2017-09-14 US disclosed
US-9688722-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-06-27 US disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
US-20170066800-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use UNIV OKLAHOMA (US) 2017-03-09 US disclosed
US-9527884-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-12-27 US disclosed
US-20150141660-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20150119330-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-04-30 US disclosed
EP-2844246-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE The Board of Regents of the University of Oklahoma (US) 2015-03-11 EP disclosed
WO-2013166438-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2013-11-07 WO disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110144037-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2011-06-16 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-2038653-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE McKee, Patrick A. (US) 2009-03-25 EP disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 WO disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 IDO1 419/4885TDO2 207/4885ALDH1A1 2795/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 IDO1 991/4885TDO2 2816/4885ALDH1A1 3279/4885

“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.