SCHEMBL9099

SCHEMBL9099

CC(CC1CCCCC1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
ALOX5 P09917 2/20 0.42
CTSK P43235 5/20 0.41
REN P00797 1/20 0.41
CTSD P07339 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL370568 1.00 EPHX1 (0.49) EPHX1ALOX5CTSKRENCTSD
SCHEMBL17276029 0.98 EPHX1 (0.46) EPHX1ALOX5CTSKRENCTSD
SCHEMBL28234483 0.94 EPHX1 (0.42) EPHX1ALOX5CTSKRENCTSD
SCHEMBL17069436 0.89
SCHEMBL12540125 0.89
SCHEMBL13235676 0.81 CTSK (0.42) CTSKRENCTSLCTSB
SCHEMBL7794348 0.81 LTA4H (0.46) CTSKCTSLCTSB
SCHEMBL13879136 0.81 CTSK (0.42) CTSKRENCTSLCTSB
SCHEMBL14947101 0.81 LTA4H (0.46) CTSKCTSLCTSB
SCHEMBL19817250 0.81 LTA4H (0.46) CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 CN claimed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
WO-2020059715-A1 FILM FOR MANUFACTURING MOLD, MOLDING METHOD, MOLDED ARTICLE, AND CURABLE COMPOSITION FOR MANUFACTURING MOLD 富士フイルム株式会社 2020-03-26 WO disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US disclosed
WO-2020031079-A1 ORGANIC INORGANIC COMPOSITE PARTICLE, METHOD FOR PRODUCING SAME, AND APPLICATION THEREOF 積水化成品工業株式会社 2020-02-13 WO disclosed
CN-110475792-A Enumerate BTA system (co) polymer and containing its ultraviolet-absorbing coating and be coated with the film of the coating SHIN NAKAMURA CHEMICAL CO LTD 2019-11-19 CN disclosed
CN-110322790-A Flexible display apparatus covers substrate and the flexible display apparatus using it 律胜科技股份有限公司 2019-10-11 CN disclosed
CN-110062774-A Preparation method of acrylonitrile polymer for producing carbon fiber 株式会社LG化学 2019-07-26 CN disclosed
CN-110007558-A Composition, insulating materials and its preparation method comprising it 财团法人工业技术研究院 2019-07-12 CN disclosed
CN-107614568-B Fluoropolymer resin with formula 1 or formula 2, the then film containing it and the display device that is connected by then film 三星SDI株式会社 2019-06-11 CN disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
CN-101715458-A Polymeric dispersions and application thereof PEACH STATE LABS INC 2010-05-26 CN disclosed
CN-100386376-C Anisotropic conductive film forming composition CHEIL IND INC (KR) 2008-05-07 CN disclosed
CN-1796453-A Anisotropic conductive film forming composition CHEIL IND INC (KR) 2006-07-05 CN disclosed
CN-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 CN disclosed
CN-1364155-A N-Cyanomethyl amides as protease inhibitors AXYS PHARM INC (US) 2002-08-14 CN disclosed
US-4235782-A Perfluoro(4-methyl-2-oxabicyclo[4.4.0]decane) and method for manufacture thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1980-11-25 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 810/4885ALOX5 1975/4885CTSK 1578/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP EPHX1 310/4885ALOX5 1746/4885CTSK 852/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT EPHX1 810/4885ALOX5 1975/4885CTSK 1578/4885

“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.