SCHEMBL885301

SCHEMBL885301

CC(C(N)=O)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.39
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL27666541 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2MMP2
SCHEMBL931217 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2MMP2
SCHEMBL2055562 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL6758598 0.98 EPHX1 (0.58) EPHX1CA12CA1CA2MMP2
SCHEMBL5973016 0.98 EPHX1 (0.58) EPHX1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL5392442 0.98 EPHX1 (0.58) EPHX1CA12CA1CA2MMP2
SCHEMBL930716 0.98 EPHX1 (0.56) EPHX1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL5928655 0.96 EPHX1 (0.56) EPHX1CA12CA1CA2MMP2
SCHEMBL930588 0.93
SCHEMBL11682920 0.87 ALOX5 (0.48) EPHX1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518808-A 3-(N, N-disubstituted amino) propanamide derivative and preparation method and use thereof in medicine 沈阳药科大学 2017-03-22 CN claimed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
EP-1844030-A1 CYCLOHEXYLAMIDES AS DOPAMINE D3 , D2 AND 5HT1A ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2007-10-17 EP claimed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
WO-2006082456-A1 CYCLOHEXYLAMIDES AS DOPAMINE D3 , D2 AND 5HT1A ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-08-10 WO claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
CN-1720047-A PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2006-01-11 CN claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
CN-1436175-A Cyclic lactams as inhibitors of A beta-protein production BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-08-13 CN claimed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US disclosed
CN-111763428-B Polyimide film and flexible display device cover substrate using same 律胜科技股份有限公司 2022-12-13 CN disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4263293-A ANTIARTHRITIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-04-21 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-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT EPHX1 810/4885CA12 4291/4885CA1 4062/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT EPHX1 832/4885CA12 4885/4885CA1 4843/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 EPHX1 1796/4885CA12 4637/4885CA1 4466/4885

“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.