SCHEMBL813735

SCHEMBL813735

CCCCCCCCNC(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 1.00
ALDH1A1 P00352 2/20 1.00
HTT P42858 1/20 1.00
GHSR Q92847 1/20 0.73
HDAC1 Q13547 2/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
LMNA P02545 1/20 0.66
KDM4E B2RXH2 1/20 0.64
HDAC2 Q92769 1/20 0.62
EPHX2 P34913 3/20 0.61
NAAA Q02083 1/20 0.61
S1PR1 P21453 1/20 0.59

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
SCHEMBL10599308 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL422504 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL5020899 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4138192 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4603476 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL11671083 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL17119069 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL7722626 0.98 EPHX1 (0.97) EPHX1ALDH1A1HTTGHSRHDAC1
Dimethylamine SCHEMBL9100861 0.97 EPHX1 (0.94) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4604785 0.93 EPHX1 (0.87) EPHX1ALDH1A1HTTGHSRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6320862-A None JP disclosed
US-10030138-B2 High thermal conductivity thermoplastic resin composition with excellent injection moldability KANEKA CORPORATION (JP) 2018-07-24 US disclosed
US-20160152823-A1 HIGH THERMAL CONDUCTIVITY THERMOPLASTIC RESIN COMPOSITION WITH EXCELLENT INJECTION MOLDABILITY KANEKA CORPORATION (JP) 2016-06-02 US disclosed
CN-103664704-B A kind of synthetic N, the method for N '-disubstituted urea NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-18 CN disclosed
EP-3018172-A1 HIGH THERMAL CONDUCTIVITY THERMOPLASTIC RESIN COMPOSITION WITH EXCELLENT INJECTION MOLDABILITY Kaneka Corporation (JP) 2016-05-11 EP disclosed
EP-1881036-B1 BIODEGRADABLE RESIN COMPOSITION AND MOLDED ARTICLE PRODUCED FROM THE SAME KANEKA CORP (JP) 2015-04-15 EP disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
CN-103664704-A Method for synthesizing N,N'-disubstituent urea UNIV NANJING SCIENCE & TECH 2014-03-26 CN disclosed
US-20130202882-A1 HIGHLY THERMALLY CONDUCTIVE RESIN MOLDED ARTICLE, AND MANUFACTURING METHOD FOR SAME KANEKA CORPORATION (JP) 2013-08-08 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-6416922-B2 DRY PROCESSING PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 2002-07-09 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
US-20010019806-A1 Azomethine dye precursor, image-forming material, and image-forming method FUJIFILM CORPORATION (JP) 2001-09-06 US disclosed
JP-H06320862-A REVERSIBLE THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD 1994-11-22 JP disclosed
US-4444863-A UREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-04-24 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 (3 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 EPHX1 1421/4885ALDH1A1 725/4885HTT 1613/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 EPHX1 975/4885ALDH1A1 783/4885HTT 715/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 EPHX1 1600/4885ALDH1A1 524/4885HTT 1194/4885

“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.