SCHEMBL968340

SCHEMBL968340

CCNC(=O)NC1CCC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 16/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
EPHX2 P34913 3/20 0.56
KMT2A Q03164 1/20 0.54

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
SCHEMBL965080 0.96 EPHX1 (0.69) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL966655 0.94 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL13480574 0.94 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL13480593 0.94 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL15263332 0.91 EPHX1 (0.57) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL965926 0.91
SCHEMBL23081209 0.85 EPHX1 (0.49) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL23119053 0.85 EPHX1 (0.49) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL23081094 0.84 EPHX1 (0.49) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL24449405 0.84 EPHX1 (0.49) EPHX1KDM4EALDH1A1EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2021-04-08 US disclosed
WO-2020185999-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-09-17 WO disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
EP-2128139-B1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2013-08-07 EP disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7884216-B2 Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-02-08 US disclosed
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-01-20 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
EP-2263999-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2010-12-22 EP disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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 (8 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR EPHX1 3740/4885KDM4E 2554/4885ALDH1A1 4645/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 EPHX1 2260/4885KDM4E 4200/4885ALDH1A1 2100/4885
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 EPHX1 2249/4885KDM4E 568/4885ALDH1A1 753/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 EPHX1 2260/4885KDM4E 4200/4885ALDH1A1 2100/4885
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS EPHX1 2044/4885KDM4E 4139/4885ALDH1A1 46/4885
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE AADAC, AFF1, AFF2 EPHX1 2813/4885KDM4E 3242/4885ALDH1A1 482/4885
US-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G EPHX1 2501/4885KDM4E 2349/4885ALDH1A1 1072/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB EPHX1 3729/4885KDM4E 916/4885ALDH1A1 3517/4885

“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.