SCHEMBL107452

SCHEMBL107452

CCCN(CCC)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA9 Q16790 5/20 0.52
CA2 P00918 4/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 5/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MLYCD O95822 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34

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
SCHEMBL42388 1.00 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL4058348 0.97 CA12 (0.50) CA12CA9CA2TSHRMAPK1
Hydrochloric Acid SCHEMBL27324500 0.97 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL4050692 0.97 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL4056597 0.97 CA12 (0.50) CA12CA9CA2TSHRMAPK1
Dimethylamine SCHEMBL2329174 0.92 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL24699815 0.90 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL2828720 0.90 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL292931 0.90 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL291383 0.89

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 11 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
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
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 (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 CA12 3995/4885CA9 2981/4885CA2 1449/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CA12 3928/4885CA9 2765/4885CA2 1319/4885

“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.