SCHEMBL13490597

SCHEMBL13490597

COc1ccc(C2CCCN(Cc3ccccc3)C2)nc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.56
SIGMAR1 Q99720 3/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PDE2A O00408 1/20 0.48
ROCK1 Q13464 3/20 0.47
ROCK2 O75116 2/20 0.47
HPGDS O60760 1/20 0.47
RET P07949 1/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL13490427 0.88 CYP2D6 (0.48) HRH2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL13490598 0.84 CYP2D6 (0.51) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13490733 0.81 RET (0.44) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL13490599 0.80 RET (0.43) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13490731 0.80 ALDH1A1 (0.47) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13490514 0.78 CYP3A4 (0.58) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28011532 0.78 PDE2A (0.47) HRH2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL171528 0.78 RET (0.52) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2636668 0.78 MEN1 (0.53) HRH2SIGMAR1
SCHEMBL2636322 0.77 BCHE (0.53) RET

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 HRH2 3/4885SIGMAR1 1466/4885KDM4E 2170/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HRH2 3/4885SIGMAR1 1270/4885KDM4E 2201/4885

“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.