SCHEMBL2525981

SCHEMBL2525981

NC(=O)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
GLA P06280 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL1902358 0.88 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL4844448 0.87 HTT (0.58) ALDH1A1SMN1; SMN2HTTHPGDNPC1
SCHEMBL28007665 0.86 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL28882986 0.85 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2HTTHPGDKMT2A
SCHEMBL9144175 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL20875889 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL10255967 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL7204285 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTHPGDLMNA
SCHEMBL14966487 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL30633831 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HTTTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447733-B 1-benzyl-2-pyrrolinone-4-amides compound and preparation method and application 中国药科大学 2016-08-17 CN claimed
CN-104447733-A 1-benzyl-2-pyrroline ketone-4-amide compounds and preparing method and application thereof UNIV CHINA PHARMA 2015-03-25 CN claimed
CN-115197115-A Preparation method and application of chiral 5-oxopyrrolidine-3-formic acid 成都金博汇康医药科技有限公司 2022-10-18 CN disclosed
CN-104447733-B 1-benzyl-2-pyrrolinone-4-amides compound and preparation method and application 中国药科大学 2016-08-17 CN disclosed
CN-104447733-B 1-benzyl-2-pyrrolinone-4-amides compound and preparation method and application 中国药科大学 2016-08-17 CN disclosed
CN-104447733-A 1-benzyl-2-pyrroline ketone-4-amide compounds and preparing method and application thereof UNIV CHINA PHARMA 2015-03-25 CN disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed
EP-0526342-B1 Isoquinolin-5yl-sulphonamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-12-04 EP disclosed
EP-0526342-A1 Isoquinolin-5yl-sulphonamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-03 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885SMN1; SMN2 3554/4885HTT 3482/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ALDH1A1 1342/4885SMN1; SMN2 1401/4885HTT 1719/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885SMN1; SMN2 3041/4885HTT 3592/4885

“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.