SCHEMBL1449258

SCHEMBL1449258

C[C@](N)(C=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.33
ADH1C P00326 4/20 0.33
ADH1B P00325 2/20 0.31
ADH4 P08319 1/20 0.31
EPHX1 P07099 1/20 0.31
SSTR4 P31391 1/20 0.30

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
SCHEMBL13063218 0.93
SCHEMBL27901669 0.75 ADH1A (0.36) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL3276795 0.75 ADH1A (0.36) ADH1AADH1CADH1BADH4EPHX1
Formamide SCHEMBL27969822 0.73 EPHX1 (0.44) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL3271093 0.72 ADH1A (0.32) ADH1AADH1CADH1B
SCHEMBL8520736 0.71 ADH1A (0.33) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL3367234 0.71 ADH1A (0.35) ADH1AADH1C
SCHEMBL23059323 0.71 ALDH1A1 (0.50) EPHX1SSTR4
SCHEMBL672134 0.71 ALDH1A1 (0.33) EPHX1SSTR4
SCHEMBL635368 0.71 ALDH1A1 (0.33) EPHX1SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP claimed
US-4016042-A SYNTHETIC OLIGOPEPTIDE CONTAINING A CHROMOGENIC OR FLUORESCENT GROUP SPLIT OFF BY PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1977-04-05 US claimed
EP-2697249-B1 COMPOUNDS BINDING TO THE BACTERIAL BETA RING CENTRE NAT RECH SCIENT (FR) 2018-10-10 EP disclosed
EP-2681209-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISORDERS AQUILUS PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
US-9505743-B2 Matrix metalloproteinase inhibitors and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS INC (US) 2016-11-29 US disclosed
EP-2382206-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS INC (US) 2016-03-23 EP disclosed
US-20150274702-A1 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES SUCHOLEIKI IRVING (US) 2015-10-01 US disclosed
US-9133240-B2 Compounds binding to the bacterial beta ring CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-09-15 US disclosed
US-20140287989-A1 Compounds Binding to the Bacterial Beta Ring CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-09-25 US disclosed
US-8765953-B2 Compounds and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2014062204-A1 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES AQUILUS PHARMACEUTICALS, INC. (US) 2014-04-24 WO disclosed
US-5599793-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1997-02-04 US disclosed
EP-0749316-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023608-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed
US-4568636-A QUANTITATIVE ANALYSIS OF PROTEOLYTIC ENZYMES, FLUORESCENCE; COLORIMETRIC ANALYSIS PENTAPHARM AG (CH) 1986-02-04 US disclosed
US-4428874-A QUANTITATIVE ANALYSIS OF PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1984-01-31 US disclosed
US-4358439-A ANTIDIABETIC AGENT AND/OR GASTROINTESTINAL BLEEDING CIBA-GEIGY CORPORATION (US) 1982-11-09 US disclosed
US-4016042-A SYNTHETIC OLIGOPEPTIDE CONTAINING A CHROMOGENIC OR FLUORESCENT GROUP SPLIT OFF BY PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1977-04-05 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 (2 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-20140287989-A1 Compounds Binding to the Bacterial Beta Ring PCNA, POLQ, DDB1 ADH1A 4670/4885ADH1C 4334/4885ADH1B 4362/4885
US-20150274702-A1 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP13, MMP3, MMP9 ADH1A 1516/4885ADH1C 2338/4885ADH1B 1369/4885

“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.