SCHEMBL13490339

SCHEMBL13490339

CCOC(=O)c1ccc(C2=CCN(CC)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.48
P2RY12 Q9H244 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
OGA O60502 2/20 0.39
JMJD6 Q6NYC1 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13490355 0.80 WNT3A (0.48) WNT3AKDM4EALDH1A1ALOX15
SCHEMBL29800427 0.76 CA12 (0.56) ALDH1A1MAPTHPGDL3MBTL1RAB9A
SCHEMBL811649 0.76 CA12 (0.56) ALDH1A1MAPTHPGDL3MBTL1RAB9A
SCHEMBL14544048 0.75 WNT3A (0.60) WNT3A
SCHEMBL13490375 0.74 RAB9A (0.46) P2RY12OGAJMJD6ALDH1A1MAPT
SCHEMBL171120 0.74 WNT3A (0.45) WNT3APPARGPPARAKDM4EALOX15
SCHEMBL15984687 0.73 MAPK1 (0.46) KDM4EMAPTL3MBTL1RAB9A
SCHEMBL13490356 0.73 WNT3A (0.49) WNT3ATRPV1KDM4EALDH1A1MAPT
SCHEMBL4001525 0.73 ALDH1A1 (0.60) KDM4EALDH1A1MAPTRAB9A
SCHEMBL13490363 0.72 FDFT1 (0.48) P2RY12JMJD6KDM4ERAB9AHRH3

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 6 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
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 WNT3A 4254/4885P2RY12 105/4885TRPV1 111/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 WNT3A 4136/4885P2RY12 102/4885TRPV1 132/4885

“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.