SCHEMBL171489

SCHEMBL171489

COC(=O)N1CC=C(c2ccc3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
GRM5 P41594 5/20 0.44
GRM1 Q13255 5/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
WNT3A P56704 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.41
SMO Q99835 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL6621771 0.87 PDE10A (0.60) PDE10AGRM5GRM1NAMPT
SCHEMBL7845539 0.79 PDE10A (0.53) PDE10AGRM5GRM1NAMPT
SCHEMBL442073 0.77 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1NPC1ALOX15
SCHEMBL13490627 0.76 KDM4E (0.49) PDE10AALDH1A1KDM4ENPC1ALOX15
SCHEMBL7836976 0.74 GRM1 (0.51) PDE10AGRM5GRM1KDM4EWNT3A
SCHEMBL23865986 0.72 ALDH1A1 (0.46) GRM5GRM1ALDH1A1WNT3ATDP1
SCHEMBL7837563 0.72 GRM1 (0.59) PDE10AGRM5GRM1NAMPT
SCHEMBL29591544 0.72 GRM1 (0.59) PDE10AGRM5GRM1NAMPT
SCHEMBL616493 0.71 ATR (0.51)
SCHEMBL30308912 0.71 GRM1 (0.64) PDE10AGRM5GRM1NAMPT

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 7 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-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 PDE10A 2700/4885GRM5 340/4885GRM1 929/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 PDE10A 2602/4885GRM5 357/4885GRM1 1145/4885

“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.