SCHEMBL107453

SCHEMBL107453

CCC[N]C(=O)NCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
EPHX1 P07099 6/20 0.40
MCL1 Q07820 1/20 0.39
KDM4C Q9H3R0 1/20 0.36
POLB P06746 1/20 0.35
PAOX Q6QHF9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
EPHX2 P34913 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4370600 0.85 EPHX1 (0.54) EPHX1EPHX2
SCHEMBL965543 0.83
SCHEMBL55497 0.77 GRIN2D (0.48) MMP1MMP2EPHX1CNR1
SCHEMBL11661654 0.77 MMP1 (0.46) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL11661657 0.77 MMP1 (0.46) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL4561173 0.76 EPHX1 (0.54) EPHX1EPHX2
SCHEMBL43595 0.75
SCHEMBL5265304 0.75
SCHEMBL2527720 0.75
SCHEMBL7310215 0.74 EPHX1 (0.57) EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
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-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
EP-1657240-A1 PYRIDYLTETRAHYDROPYRIDINES, PYRIDYLPIPERIDINES, AND PROCESS FOR THE PRODUCTION OF BOTH FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-05-17 EP disclosed
US-6939887-B2 Benzimidazolidinone derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-09-06 US disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
EP-0737672-A2 Method of producing triazine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-16 EP disclosed
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0127162-B1 COLOR PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1989-11-15 EP disclosed
US-4842985-A COUPLER HAVING DYE MOIETY WITH SHIFTED MAXIMUM ABSORPTION WAVELENGTH, HUE-FIXING COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1989-06-27 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed
US-4585728-A 2-EQUIVALENT MAGENTA COUPLER AND AMINE FUJI PHOTO FILM CO., LTD. (JP) 1986-04-29 US disclosed
US-4555479-A CONTAINING 5-PYRAZOLONE TYPE MAGENTA COUPLERS AND NITROGEN COMPOUND-PREVENTION STAINING FUJI PHOTO FILM CO., LTD. (JP) 1985-11-26 US disclosed
EP-0127162-A2 Color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-12-05 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 (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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 MMP1 4228/4885MMP2 4244/4885MMP3 4705/4885
US-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB MMP1 4207/4885MMP2 3761/4885MMP3 2711/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 MMP1 4164/4885MMP2 4234/4885MMP3 4663/4885

“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.