SCHEMBL468720

SCHEMBL468720

COC(=O)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
FKBP1A P62942 3/20 0.51
MMP2 P08253 2/20 0.50
ANPEP P15144 2/20 0.50
PEPD P12955 2/20 0.48
XPNPEP1 Q9NQW7 1/20 0.48
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
ACE P12821 1/20 0.42
GAA P10253 1/20 0.41
CNR2 P34972 1/20 0.41
PDK2 Q15119 1/20 0.40

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
SCHEMBL468719 1.00 POLB (0.58) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL14426613 1.00 POLB (0.58) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL14426630 0.94 FKBP1A (0.57) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL12566180 0.94 FKBP1A (0.57) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL28530831 0.93 FKBP1A (0.56) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL17464830 0.88 MMP2 (0.53) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL2771429 0.88 MMP2 (0.53) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL10143725 0.85 POLB (0.55) POLBFKBP1AMMP2ANPEPPEPD
SCHEMBL9546469 0.85 POLB (0.58) POLBFKBP1APEPDXPNPEP1ALOX5
SCHEMBL9533366 0.85 POLB (0.62) POLBFKBP1AMMP2ANPEPPEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
US-RE41339-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2010-05-18 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
EP-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-2019052565-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF 广东东阳光药业有限公司 2019-03-21 WO disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2013-05-09 US disclosed
EP-2390260-A2 Ester derivative of ethinyl estradiol Warner Chilcott Company, LLC (PR) 2011-11-30 EP disclosed
US-20100256333-A1 Peptide-Based Beta Turn Mimetics UNIVERSITY OF MANITOBA (CA) 2010-10-07 US disclosed
EP-0863883-A1 ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC., (US) 1998-09-16 EP disclosed
US-5714484-A α-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors PROTOTEK, INC. (US) 1998-02-03 US disclosed
WO-1996040647-A1 α-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS PROTOTEK, INC. (US) 1996-12-19 WO disclosed
EP-0416282-B1 Microbiologically produced N-Acyl-L-proline-acylase, process for its production and its use DEGUSSA (DE) 1994-09-14 EP disclosed
US-5219741-A Reacting in the presence of microbiologically produced N-acyl-L-proline acylase DEGUSSA AG (DE) 1993-06-15 US disclosed
US-5120652-A Synthesis of proline from acyl derivatives; thermostable DEGUSSA AG (DE) 1992-06-09 US disclosed
EP-0416282-A1 Microbiologically produced N-Acyl-L-proline-acylase, process for its production and its use Degussa Aktiengesellschaft (DE) 1991-03-13 EP disclosed
US-4749786-A α-amino acids through catalytic reaction of CO and a hydroxyl compound with enamides THE STANDARD OIL COMPANY (US) 1988-06-07 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-20100256333-A1 Peptide-Based Beta Turn Mimetics VIP, PTMA, PREP POLB 1057/4885FKBP1A 383/4885MMP2 2253/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR POLB 3386/4885FKBP1A 598/4885MMP2 4096/4885
US-20130116284-A1 LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF PARP1, PARP2, PARP6 POLB 157/4885FKBP1A 1410/4885MMP2 1299/4885

“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.