SCHEMBL11053891

SCHEMBL11053891

CC(C)(C)CNC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PABPC1 P11940 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HTR1A P08908 1/20 0.35
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34

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
SCHEMBL18177820 1.00 KDM4E (0.43) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL9285591 0.97 KDM4E (0.39) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL9284576 0.92 IRAK4 (0.36) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL9280974 0.87
Hydrochloric Acid SCHEMBL17700376 0.84 IRAK4 (0.40) IRAK4
SCHEMBL17642227 0.81 KDM4E (0.40) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL15114086 0.81 KDM4E (0.40) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL11149818 0.81 KDM4E (0.40) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL7123522 0.81 KDM4E (0.45) KDM4EEPHX1ALDH1A1HSD17B10DPP7
SCHEMBL11054211 0.79 KDM4E (0.43) KDM4EEPHX1ALDH1A1HSD17B10DPP7

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
EP-4041730-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2026-05-13 EP claimed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-09-21 US disclosed
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 EP disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
EP-3200788-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
US-9926330-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-20170247388-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-31 US disclosed
US-9150500-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-20140343138-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-20 US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-4459424-A SECONDARY AMINE, CARBON DISULFIDE, METAL CONTAINING CATALYST AKZONA INCORPORATED (US) 1984-07-10 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-20170247388-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 KDM4E 243/4885EPHX1 1789/4885ALDH1A1 2928/4885
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR KDM4E 3364/4885EPHX1 2872/4885ALDH1A1 785/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 KDM4E 3317/4885EPHX1 1188/4885ALDH1A1 326/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 KDM4E 4390/4885EPHX1 649/4885ALDH1A1 255/4885
US-20140343138-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2305/4885EPHX1 927/4885ALDH1A1 2945/4885
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 KDM4E 233/4885EPHX1 2829/4885ALDH1A1 3576/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KDM4E 437/4885EPHX1 3215/4885ALDH1A1 132/4885

“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.