SCHEMBL4131266

SCHEMBL4131266

NC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.45
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
EPHX2 P34913 4/20 0.43
KDM1A O60341 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
RIPK1 Q13546 1/20 0.38
CACNA1B Q00975 2/20 0.36
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
Hydrochloric Acid SCHEMBL2798175 0.98 EPHX1 (0.44) EPHX1CHRM2CHRM1CHRM3EPHX2
Hydrochloric Acid SCHEMBL2794765 0.98 EPHX1 (0.44) EPHX1CHRM2CHRM1CHRM3EPHX2
Trifluoroacetic Acid SCHEMBL29191950 0.94 CHRM2 (0.44) EPHX1CHRM2CHRM1CHRM3EPHX2
SCHEMBL13397666 0.92 CHRM2 (0.43) EPHX1CHRM2CHRM1CHRM3EPHX2
SCHEMBL4634900 0.89 EPHX1 (0.41) EPHX1CHRM2CHRM1CHRM3EPHX2
SCHEMBL4634897 0.89 EPHX1 (0.41) EPHX1CHRM2CHRM1CHRM3EPHX2
SCHEMBL5511542 0.89 EPHX1 (0.41) EPHX1CHRM2CHRM1CHRM3EPHX2
Hydrochloric Acid SCHEMBL4635025 0.88 EPHX1 (0.40) EPHX1CHRM2CHRM1CHRM3EPHX2
SCHEMBL5758149 0.80 EPHX1 (0.46) EPHX1EPHX2KDM1ARIPK1
SCHEMBL28278914 0.79 GAA (0.51) EPHX1CHRM1EPHX2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311850-B Imidazolone compounds as human neutrophil elastase inhibitors 奇斯药制品公司 2021-11-19 CN claimed
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP claimed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP claimed
CN-109311850-A Imidazoquinolone compounds as people's inhibitors of neutrophil elastase 奇斯药制品公司 2019-02-05 CN claimed
US-20180009787-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-11 US claimed
US-9802919-B1 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2017-10-31 US claimed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US claimed
US-10882854-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-01-05 US disclosed
US-10882854-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2021-01-05 US disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 EP disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 EP disclosed
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US disclosed
US-20040242637-A1 Tyrosine kinase inhibitors HARTMAN GEORGE D (US) 2004-12-02 US disclosed
WO-2003015717-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 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 (5 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-20180009787-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO EPHX1 110/4885CHRM2 4619/4885CHRM1 4648/4885
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 EPHX1 1/4885CHRM2 3492/4885CHRM1 3759/4885
US-20040242637-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 EPHX1 2048/4885CHRM2 4663/4885CHRM1 4624/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 EPHX1 1481/4885CHRM2 1756/4885CHRM1 920/4885
US-10882854-B2 Heterocyclic compounds and use thereof CXCL12, HPGDS, CX3CR1 EPHX1 76/4885CHRM2 2674/4885CHRM1 2819/4885

“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.