SCHEMBL171365

SCHEMBL171365

NC(=O)c1ccc(C2=CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 0.52
HDAC4 P56524 1/20 0.50
DRD4 P21917 5/20 0.47
DRD3 P35462 5/20 0.47
DRD2 P14416 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL5227679 0.83 HDAC1 (0.55) HDAC4KCNH2
SCHEMBL169482 0.82 DRD4 (0.52) OPRM1OPRK1HDAC4DRD4DRD3
SCHEMBL105201 0.81 DRD4 (0.53) OPRM1OPRK1DRD4DRD3DRD2
SCHEMBL13490533 0.80 GRM5 (0.50) MEN1KMT2ANAMPTGAA
SCHEMBL171316 0.80 DRD4 (0.53) HDAC4DRD4DRD3DRD2NAMPT
SCHEMBL171672 0.80 DRD4 (0.52) OPRM1OPRK1HDAC4DRD4DRD3
SCHEMBL14544155 0.79 NAMPT (0.53) DRD4DRD3DRD2MEN1KMT2A
SCHEMBL13490436 0.79 DRD4 (0.52) HDAC4DRD4DRD3DRD2NAMPT
SCHEMBL13490527 0.77 SIGMAR1 (0.54) OPRM1OPRK1HDAC4DRD4DRD3
SCHEMBL171676 0.77 DRD4 (0.49) OPRM1OPRK1DRD4DRD3DRD2

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 8 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
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-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
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (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 OPRM1 893/4885OPRD1 799/4885OPRK1 1301/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 OPRM1 899/4885OPRD1 733/4885OPRK1 1186/4885

“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.