SCHEMBL996532

SCHEMBL996532

[c]1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.71
HRH4 Q9H3N8 1/20 0.63
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
NCF1 P14598 1/20 0.55
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL447560 1.00 HRH3 (0.71) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL28282914 0.98 HRH3 (0.68) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL738784 0.98 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL7356340 0.93 HRH3 (0.60) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL27745775 0.90 HRH3 (0.57) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.84 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7468055 0.81 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL18227661 0.81 CHKA (0.70) HRH3ALDH1A1KDM4ENCF1POLB
SCHEMBL11201497 0.81 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
Water SCHEMBL28324406 0.80 SIGMAR1 (0.74) HRH3HRH4ALDH1A1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US 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-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
US-4443436-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-04-17 US claimed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
CN-101605767-A The method for preparing piperazinyl phenyl carboxamides derivatives and Diazesuberane yl-benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-12-16 CN disclosed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP disclosed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP disclosed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US disclosed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA HRH3 780/4885HRH4 1044/4885ALDH1A1 483/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS HRH3 271/4885HRH4 790/4885ALDH1A1 1336/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 HRH3 964/4885HRH4 209/4885ALDH1A1 4742/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 HRH3 1723/4885HRH4 498/4885ALDH1A1 4724/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 HRH3 964/4885HRH4 209/4885ALDH1A1 4742/4885

“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.