SCHEMBL395833

SCHEMBL395833

CCOC(=O)N1CCCCC1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.65
FKBP1A P62942 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACE P12821 6/20 0.46
REN P00797 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.46
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.46
PEPD P12955 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
HRH1 P35367 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL9668555 1.00 RAB9A (0.65) RAB9AFKBP1AALDH1A1SMN1; SMN2ACE
SCHEMBL7406144 0.95 RAB9A (0.71) RAB9AALDH1A1SMN1; SMN2ACEREN
SCHEMBL3172600 0.95 RAB9A (0.71) RAB9AALDH1A1SMN1; SMN2ACEREN
SCHEMBL3172593 0.95 RAB9A (0.71) RAB9AALDH1A1SMN1; SMN2ACEREN
Hydrochloric Acid SCHEMBL27968384 0.93 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2ACEREN
Hydrochloric Acid SCHEMBL28049456 0.93 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2ACEREN
SCHEMBL9176416 0.89 RAB9A (0.60) RAB9AALDH1A1SMN1; SMN2ACEREN
SCHEMBL25414655 0.87 RAB9A (0.57) RAB9AALDH1A1SMN1; SMN2ACEREN
SCHEMBL7871571 0.87 RAB9A (0.57) RAB9AALDH1A1SMN1; SMN2ACEREN
SCHEMBL24661351 0.86 FKBP1A (0.65) RAB9AFKBP1AALDH1A1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
EP-1723121-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2006-11-22 EP disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
EP-0501997-B1 N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS SMITHKLINE BEECHAM SPA (IT) 1997-01-29 EP disclosed
US-5466858-A Ruthenium catalyst, high selectivity with a carboxylic acid UBE INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-5366981-A N-acyl-substituted azacyclic compounds, processes for their preparaion, and their use as pharmaceuticals DR LO ZAMBELETTI S.P.A. (IT) 1994-11-22 US disclosed
US-5322848-A Analgesics DR. LO ZEMBELETTI S.P.A. (IT) 1994-06-21 US disclosed
EP-0585296-A1 2-(PYRROLIDINYL-1-METHYL)-PIPERIDINE DERIVATIVES AND THEIR USE AS KAPPA-RECEPT OR AGONISTS Smithkline Beecham Farmaceutici S.p.A. (IT) 1994-03-09 EP disclosed
WO-1992020657-A1 2-(PYRROLIDINYL-1-METHYL)-PIPERIDINE DERIVATIVES AND THEIR USE AS KAPPA-RECEPT OR AGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1992-11-26 WO disclosed
WO-1992017467-A1 SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANALGESICS DR LO. ZAMBELETTI S.P.A. (IT) 1992-10-15 WO disclosed
EP-0502015-A1 N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS Dr. Lo. Zambeletti S.p.A. (IT) 1992-09-09 EP disclosed
EP-0501997-A1 N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS. ZAMBELETTI SPA L (IT) 1992-09-09 EP disclosed
WO-1991008206-A1 N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS DR. LO. ZAMBELETTI S.P.A. (IT) 1991-06-13 WO disclosed
WO-1991008205-A1 N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS DR. LO. ZAMBELETTI S.P.A. (IT) 1991-06-13 WO 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 (1 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-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors SERPINB1, ELANE, MPO RAB9A 1228/4885FKBP1A 1691/4885ALDH1A1 527/4885

“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.