SCHEMBL13490509

SCHEMBL13490509

COC(=O)c1cccc(C2CCCN(Cc3ccccc3)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.51
ACHE P22303 3/20 0.51
MAOB P27338 2/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP1A2 P05177 1/20 0.46
PDE2A O00408 1/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL171346 0.88 CYP3A4 (0.49) BCHEACHEMAOBCYP3A4CYP2C9
SCHEMBL3468098 0.82 SCN4A (0.42) CYP3A4CYP2C9DRD2DRD4DRD3
SCHEMBL171619 0.79 PDE2A (0.55) CYP3A4ALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL17478778 0.78 CNR2 (0.43) CYP3A4CYP2C9CYP1A2DRD2DRD4
SCHEMBL23812334 0.77 CRBN (0.54) CYP3A4CYP2C9
SCHEMBL23530104 0.75 CNR2 (0.54) CYP3A4CYP2C9CYP1A2
SCHEMBL28011532 0.74 PDE2A (0.47) CYP3A4CYP2C9ALDH1A1KDM4ECYP2D6
SCHEMBL412412 0.74 CNR2 (0.49) CYP3A4CYP2C9CYP1A2DRD2DRD4
SCHEMBL18362813 0.73 DRD2 (0.60) BCHEACHEMAOBALDH1A1KDM4E
SCHEMBL29333202 0.73 KDM4E (0.67) BCHEACHEMAOBCYP3A4CYP2C9

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 BCHE 1027/4885ACHE 818/4885MAOB 603/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 BCHE 1089/4885ACHE 725/4885MAOB 602/4885

“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.