SCHEMBL105543

SCHEMBL105543

CCCCCCCCCC[N]C(=O)NCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.57
CASP2 P42575 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
NAAA Q02083 1/20 0.48
FAAH O00519 1/20 0.44
EPHX2 P34913 3/20 0.44

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
SCHEMBL8391985 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8393613 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL77118 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8391466 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL7310215 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8391878 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8396953 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8395195 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8397257 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL8392211 1.00 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
EP-1657240-A1 PYRIDYLTETRAHYDROPYRIDINES, PYRIDYLPIPERIDINES, AND PROCESS FOR THE PRODUCTION OF BOTH FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-05-17 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 (2 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 EPHX1 1721/4885CASP2 2469/4885ZDHHC20 2025/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 EPHX1 1672/4885CASP2 2746/4885ZDHHC20 1994/4885

“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.