SCHEMBL171358

SCHEMBL171358

Sc1cccc(C2=CCCNC2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 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
SCHEMBL169474 0.80 HTR2A (0.41) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171143 0.76 CHRM2 (0.40) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL29814719 0.74 HTR2A (0.37) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL13490658 0.73 SIGMAR1 (0.49) HTR2C
SCHEMBL171593 0.73 CDK8 (0.40) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171145 0.72 HTR2A (0.46) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL13490471 0.72 PIM1 (0.47) CHRM2CHRM3
SCHEMBL13591415 0.71 CHRM3 (0.49) HTR2ACHRM2CHRM3
SCHEMBL171646 0.71 HTR2A (0.41) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL13591416 0.71 HTR2A (0.37) 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 7 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
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-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 HTR2A 177/4885HTR2C 399/4885HTR2B 179/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HTR2A 160/4885HTR2C 391/4885HTR2B 155/4885

“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.