SCHEMBL2114827

SCHEMBL2114827

[CH2]CCCNC(=O)NC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.65
EPHX2 P34913 4/20 0.65
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL8428972 0.98 EPHX1 (0.68) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL8429147 0.89 EPHX1 (0.65) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL8432151 0.87 EPHX1 (0.68) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL9750349 0.85 EPHX1 (0.86) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL19420509 0.85 EPHX1 (0.86) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL14423989 0.81 EPHX1 (0.87) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL8432351 0.80 EPHX1 (0.60) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL5020902 0.80 EPHX1 (0.90) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL15224138 0.80 EPHX1 (0.68) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL1193592 0.80 EPHX1 (0.97) EPHX1EPHX2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
EP-0937069-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1999-08-25 EP disclosed
US-5877321-A NEUROKININ RECEPTOR SANOFI (FR) 1999-03-02 US disclosed
US-5773620-A Quaternary ammonium salts of aromatic amine compounds, their preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-30 US disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
WO-1998018788-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-05-07 WO disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5411971-A N-alkylenepiperidino compounds, their enantiomers and pharmaceutical compositions ELF SANOFI (FR) 1995-05-02 US disclosed
US-5350852-A Neurokinin A receptor antagonist SANOFI (FR) 1994-09-27 US disclosed
US-5340822-A Substance P, neurokinin antagonists ELF SANOFI (FR) 1994-08-23 US disclosed
US-5317020-A Neurokinin receiver antagonist as antiinflammatory agents SANOFI (FR) 1994-05-31 US disclosed
US-5300648-A Analgesics, antiinflammatory agents SOCIETE ANONYME: ELF SANOFI (FR) 1994-04-05 US disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 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 (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-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 EPHX1 569/4885EPHX2 864/4885KDM4E 1992/4885

“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.