SCHEMBL1003393

SCHEMBL1003393

CC(C)(C)OC(=O)N1CCC(Cc2ccc(Cl)cc2)(C(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
STS P08842 2/20 0.47
KDM1A O60341 1/20 0.47
ALDH1A1 P00352 3/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8876877 0.90 MEN1 (0.51) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL1003119 0.89 OPRD1 (0.52) SMN1; SMN2STSOPRD1OPRK1LMNA
SCHEMBL1002999 0.88 PKM (0.53) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL20510831 0.88 MMP13 (0.43) OPRD1OPRK1
SCHEMBL2185224 0.88 KDM1A (0.46) MEN1KMT2AKDM1AOPRD1OPRK1
SCHEMBL22793050 0.88 GPR119 (0.49) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL8875851 0.87 MEN1 (0.51) MEN1KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL24097945 0.87 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2STSKDM1A
SCHEMBL2375438 0.87 GPR119 (0.50) OPRD1OPRK1
SCHEMBL8878617 0.86 KMT2A (0.65) MEN1KMT2AALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108480890-A One kind being used for underground engineering waste pipe welder and its working method 徐州工程学院 2018-09-04 CN claimed
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
CN-108480890-A One kind being used for underground engineering waste pipe welder and its working method 徐州工程学院 2018-09-04 CN disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5618830-A TREATING INFLUENZA, PREVENTING INFECTION BY INFLUENZA VIRUS MERCK & CO., INC. (US) 1997-04-08 US disclosed
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 CN disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5475109-A Useful in prevention or treatment of infection by influenza virus MERCK & CO., INC. (US) 1995-12-12 US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed