SCHEMBL171518

SCHEMBL171518

N#Cc1nc(C2=CCCN(C(=O)OCc3ccccc3)C2)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 12/20 0.41
NPSR1 Q6W5P4 1/20 0.39
DHFR P00374 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GABRA5 P31644 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL171466 0.79 MEN1 (0.44) MEN1KMT2AMAPTNPSR1DHFR
SCHEMBL13490483 0.77 CYP1A2 (0.50) MEN1KMT2APTGDR2NPSR1DHFR
SCHEMBL171517 0.76 DHFR (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL169428 0.75 GRM5 (0.50) MEN1KMT2ANPSR1DHFRSMN1; SMN2
SCHEMBL13490472 0.75 MEN1 (0.43) MEN1KMT2APTGDR2NPSR1DHFR
SCHEMBL13490590 0.74 MEN1 (0.44) MEN1KMT2ANPSR1DHFRSMN1; SMN2
SCHEMBL13490575 0.74 MEN1 (0.44) MEN1KMT2ANPSR1DHFRSMN1; SMN2
SCHEMBL169438 0.74 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL171515 0.73 KDM1A (0.43) MEN1KMT2AALDH1A1PTGDR2NPSR1
SCHEMBL13490589 0.73 MEN1 (0.42) MEN1KMT2APTGDR2NPSR1DHFR

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 5 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

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 MEN1 4011/4885KMT2A 2821/4885ALDH1A1 876/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 MEN1 4011/4885KMT2A 2707/4885ALDH1A1 950/4885

“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.