SCHEMBL4229104

SCHEMBL4229104

O=C(CCl)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
EPHX2 P34913 7/20 0.56
HSD17B10 Q99714 1/20 0.52
HSD11B1 P28845 5/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9743896 0.84 L3MBTL1 (0.73) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL19808153 0.81 L3MBTL1 (0.63) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL13702321 0.79 L3MBTL1 (0.72) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL4005434 0.79 L3MBTL1 (0.61) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL12968364 0.79 L3MBTL1 (0.72) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL15377775 0.79 L3MBTL1 (0.61) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL1923226 0.79 L3MBTL1 (0.61) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL233183 0.78 HSD11B1 (0.58) EPHX2HSD11B1
SCHEMBL15224285 0.78 L3MBTL1 (0.59) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1
SCHEMBL1016262 0.78 L3MBTL1 (0.65) L3MBTL1EPHX2HSD17B10HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015035234-A2 ANTI-MICROBIAL COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-12 WO disclosed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1812407-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES Pfizer, Inc. (US) 2007-08-01 EP disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 WO disclosed
US-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-24 US disclosed
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050245532-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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 (7 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-20050245532-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 L3MBTL1 2687/4885EPHX2 696/4885HSD17B10 11/4885
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 L3MBTL1 4576/4885EPHX2 1942/4885HSD17B10 25/4885
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 L3MBTL1 3387/4885EPHX2 1521/4885HSD17B10 1058/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A L3MBTL1 809/4885EPHX2 3472/4885HSD17B10 498/4885
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 L3MBTL1 2382/4885EPHX2 676/4885HSD17B10 11/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A L3MBTL1 1085/4885EPHX2 3391/4885HSD17B10 364/4885
US-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 L3MBTL1 2687/4885EPHX2 696/4885HSD17B10 11/4885

“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.