SCHEMBL4809535

SCHEMBL4809535

Cc1ccc(S(=O)(=O)OCC2CCCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM1A O60341 1/20 0.43
APP P05067 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL143674 0.97 LMNA (0.47) LMNANPSR1KMT2AMEN1APP
SCHEMBL345625 0.97 LMNA (0.47) LMNANPSR1KMT2AMEN1APP
SCHEMBL86666 0.97 LMNA (0.47) LMNANPSR1KMT2AMEN1APP
SCHEMBL345694 0.92 GPR119 (0.44) LMNANPSR1KMT2AMEN1MMP13
SCHEMBL2186144 0.92 GPR119 (0.44) LMNANPSR1KMT2AMEN1MMP13
SCHEMBL345693 0.92 GPR119 (0.44) LMNANPSR1KMT2AMEN1MMP13
SCHEMBL8702996 0.90 LMNA (0.44) LMNANPSR1KMT2AMEN1KDM1A
SCHEMBL29285446 0.88 LMNA (0.45) LMNANPSR1KMT2AMEN1APP
SCHEMBL4093277 0.87 NPSR1 (0.44) LMNANPSR1KMT2AMEN1KDM1A
SCHEMBL7918528 0.86 HCRTR2 (0.49) KMT2AMEN1KDM1AAPPHTR1A

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
CN-118164961-A 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-06-11 CN disclosed
CN-111393414-B 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-05-07 CN disclosed
CN-112119080-B Imidazo [4,5-C ] pyridine compounds as LSD-1 inhibitors 密歇根大学董事会 2023-07-11 CN disclosed
CN-101821251-A Chiral cis-imidazolines HOFFMANN LA ROCHE 2010-09-01 CN disclosed
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1475373-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
EP-1471060-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-10-27 EP disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP disclosed
US-6528504-B2 Compounds such as (R)-5,11-dihydro-5-(1-(4-methoxyphenethyl)-piperidine-2-ylmethyl) -dibenzo(b,e)(1,4) oxazepine are useful for treating or preventing abnormal motor functions of gastrointestinal tracts, e.g., irritable bowel syndrome. AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
US-20020099047-A1 Oxazepine derivatives and medicine containing the same AJINOMOTO CO., INC. (JP) 2002-07-25 US disclosed
EP-1142884-A1 OXAZEPINE DERIVATIVES AND DRUGS CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2001-10-10 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 (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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 LMNA 3367/4885NPSR1 1088/4885KMT2A 1693/4885
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 LMNA 3263/4885NPSR1 1317/4885KMT2A 1104/4885
US-20020099047-A1 Oxazepine derivatives and medicine containing the same CACNG5, GRIK5, KCNB1 LMNA 3631/4885NPSR1 910/4885KMT2A 755/4885

“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.