SCHEMBL171485

SCHEMBL171485

Nc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.52
LNPEP Q9UIQ6 1/20 0.51
PRMT1 Q99873 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRMT5 O14744 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NAMPT P43490 1/20 0.43
DHFR P00374 1/20 0.43
EED O75530 1/20 0.41

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
SCHEMBL13490526 0.88 GRM5 (0.53) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL13490533 0.88 GRM5 (0.50) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL30365847 0.87 GRM5 (0.52) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL30899650 0.87 GRM5 (0.52) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL1577496 0.87 GRM5 (0.52) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL171369 0.87 GRM5 (0.52) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL13490532 0.87 GRM5 (0.52) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL13490670 0.85 GRM5 (0.52) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL4010552 0.84 GRM5 (0.64) GRM5LNPEPPRMT1SMN1; SMN2MEN1
SCHEMBL15747743 0.84 LNPEP (0.54) GRM5LNPEPPRMT1SMN1; SMN2MEN1

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 9 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-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 GRM5 340/4885LNPEP 2420/4885PRMT1 1426/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 GRM5 357/4885LNPEP 2652/4885PRMT1 1723/4885

“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.