SCHEMBL5793141

SCHEMBL5793141

NC(CC1CCCCC1)c1ccccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATM Q13315 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.37
MC4R P32245 3/20 0.37
ACP3 P15309 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7898964 1.00 KEAP1 (0.44) KEAP1MEN1KMT2APLA2G1BATM
SCHEMBL7896540 0.97 KEAP1 (0.44) KEAP1MEN1KMT2APLA2G1BATM
SCHEMBL7896612 0.95 KEAP1 (0.45) KEAP1MEN1KMT2APLA2G1BATM
Hydrochloric Acid SCHEMBL17871924 0.88 KEAP1 (0.39) KEAP1MEN1KMT2APLA2G1BATM
SCHEMBL7898810 0.82 MEN1 (0.43) KEAP1MEN1KMT2APLA2G1BATM
SCHEMBL7896616 0.81 GAA (0.42) KEAP1MEN1KMT2AMAPK1NPC1
SCHEMBL7895952 0.80 MEN1 (0.45) KEAP1MEN1KMT2AMAPK1GAA
SCHEMBL7888872 0.78 KEAP1 (0.49) KEAP1MAPK1NPC1GAAMC4R
SCHEMBL1964089 0.77 MC4R (0.54) KEAP1MAPK1NPC1GAAMC4R
SCHEMBL442668 0.77 MC4R (0.54) KEAP1MAPK1NPC1GAAMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO disclosed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 US disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 WO disclosed
US-RE37035-E1 HYPOGLYCEMIC AGENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-30 US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 US disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 US disclosed
EP-0208200-B1 PHENYLACETIC-ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1990-04-25 EP disclosed
EP-0208200-A1 Phenylacetic-acid derivatives, pharmaceutical compositions containing them and processes for their production Dr. Karl Thomae GmbH (DE) 1987-01-14 EP 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA KEAP1 1098/4885MEN1 3408/4885KMT2A 2603/4885
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN KEAP1 714/4885MEN1 3321/4885KMT2A 954/4885

“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.