SCHEMBL171158

SCHEMBL171158

C1=C(c2ccc(Oc3ccccc3)cn2)CNCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HTR2A P28223 7/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL169373 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL29140058 0.79 ADRA2A (0.53) LTA4HHTR2AHTR2CHTR2BNISCH
SCHEMBL171339 0.78 CHRM2 (0.43) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171123 0.75 HTR2A (0.39) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL15770296 0.74 HTR2A (0.47) LTA4HHTR2AHTR2CHTR2BNISCH
SCHEMBL13490378 0.73 HTR2A (0.47) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL13490567 0.73 CCR1 (0.48) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171659 0.73 HTR2A (0.47) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL13490562 0.73 HTR2A (0.47) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171145 0.72 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM3

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 LTA4H 1910/4885CYP11B1 1310/4885CYP11B2 889/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 LTA4H 1825/4885CYP11B1 1469/4885CYP11B2 994/4885

“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.