SCHEMBL13490502

SCHEMBL13490502

Cc1ccc(C2CCCN(Cc3ccccc3)C2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PDE8B O95263 1/20 0.45
ROCK1 Q13464 3/20 0.44
ROCK2 O75116 3/20 0.44
KCNH2 Q12809 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGDS O60760 1/20 0.43
CYP2C9 P11712 2/20 0.42

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
SCHEMBL171619 0.81 PDE2A (0.55) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL15352774 0.78 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL13490598 0.78 CYP2D6 (0.51) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL13592728 0.77 PDE2A (0.46) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL30223549 0.77 PDE2A (0.44) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL13490665 0.76 CYP3A4 (0.50) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL17898213 0.74 CYP3A4 (0.53) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL13490514 0.74 CYP3A4 (0.58) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL28011532 0.74 PDE2A (0.47) PDE2ACYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL13490557 0.73 DRD2 (0.59) DRD2DRD4DRD3

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 8 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-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 PDE2A 1576/4885CYP3A4 37/4885CYP2D6 39/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 PDE2A 1457/4885CYP3A4 53/4885CYP2D6 50/4885

“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.