SCHEMBL171663

SCHEMBL171663

C1=C(c2ccc(Oc3ccccc3)cn2)CN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.44
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
OPRM1 P35372 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PRKAA2 P54646 1/20 0.39
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
SIGMAR1 Q99720 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
SCHEMBL171149 0.88 SIGMAR1 (0.50) KDM4EALDH1A1SIGMAR1
SCHEMBL13490577 0.81 LMNA (0.47) ALDH1A1SIGMAR1
SCHEMBL169524 0.81 ALDH1A1 (0.39) ALDH1A1HPGDHTTSIGMAR1
SCHEMBL169427 0.78 TRPV6 (0.37) TRPV6MMP2MMP9KDM4EALDH1A1
SCHEMBL13592661 0.77 TP53 (0.36) HRH3KDM4EALDH1A1TDP1HPGD
SCHEMBL13490589 0.77 MEN1 (0.42) OPRK1SIGMAR1
SCHEMBL13490578 0.77 ALDH1A1 (0.56) KDM4EALDH1A1TDP1SIGMAR1
SCHEMBL13592659 0.77 ACHE (0.36) HRH3ALDH1A1SIGMAR1
SCHEMBL171457 0.77 CCNT1 (0.37) ALDH1A1SIGMAR1
SCHEMBL13490576 0.76 SIGMAR1 (0.34) KDM4EALDH1A1HTTSIGMAR1

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 9 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-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 TRPV6 138/4885MMP2 4244/4885MMP9 4486/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 TRPV6 145/4885MMP2 4234/4885MMP9 4470/4885

“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.