SCHEMBL3579440

SCHEMBL3579440

CON(C)C(=O)C1=CCN(c2ncccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.49
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP2D6 P10635 3/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 1/20 0.37
MDM2 Q00987 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3575959 0.81 TRPV1 (0.56) TRPV1CYP3A4KMT2AHSD17B10KDM4E
SCHEMBL3675956 0.79 LMNA (0.52) CYP3A4CYP2C19LMNAMAPTNPC1
SCHEMBL3815501 0.77 TRPV1 (0.54) TRPV1KDM4ETSHRMDM2CYP2C19
SCHEMBL9568889 0.76 QDPR (0.36) KMT2ALMNA
SCHEMBL3579439 0.74 TRPV1 (0.56) TRPV1CYP3A4HSD17B10CYP2D6KDM4E
SCHEMBL5742523 0.71 TRPV1 (0.49) TRPV1MEN1KMT2AKDM4ECYP2C19
SCHEMBL4875556 0.70 TRPV1 (0.71) TRPV1
SCHEMBL5820692 0.69 TRPV1 (0.58) TRPV1MEN1KMT2AHSD17B10CYP2D6
SCHEMBL26105005 0.68 PDK4 (0.44) USP2
SCHEMBL3577631 0.68 KDM4E (0.43) CYP3A4MEN1KMT2AHSD17B10KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 EP disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-11-19 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
EP-2089376-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
EP-2084145-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
WO-2008067120-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2008058068-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (9 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT TRPV1 652/4885CYP3A4 195/4885MEN1 1568/4885
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, SDHA, CYCS TRPV1 2046/4885CYP3A4 24/4885MEN1 280/4885
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE APP, PARK7, BACE1 TRPV1 4192/4885CYP3A4 3443/4885MEN1 2416/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 TRPV1 4254/4885CYP3A4 4192/4885MEN1 2823/4885
US-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, CYP11B1, CYP3A7 TRPV1 2212/4885CYP3A4 25/4885MEN1 487/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A TRPV1 3550/4885CYP3A4 4660/4885MEN1 4522/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP TRPV1 4684/4885CYP3A4 4715/4885MEN1 1620/4885
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, CYP11B1, CYP3A7 TRPV1 2212/4885CYP3A4 25/4885MEN1 487/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT TRPV1 652/4885CYP3A4 195/4885MEN1 1568/4885

“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.