SCHEMBL13490378

SCHEMBL13490378

Clc1ccc(C2=CCCNC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.47
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
HTR6 P50406 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL13490567 0.80 CCR1 (0.48) HTR2ACHRM2CHRM3ADRA2AADRA2B
SCHEMBL171659 0.80 HTR2A (0.47) HTR2ACHRM2CHRM3ADRA2AADRA2B
SCHEMBL13490562 0.80 HTR2A (0.47) HTR2ACHRM2CHRM3ADRA2AADRA2B
SCHEMBL169373 0.76 HTR2A (0.50) HTR2ACHRM2CHRM3ADRA2AADRA2B
SCHEMBL171339 0.76 CHRM2 (0.43) HTR2ACHRM2CHRM3ADRA2AADRA2B
SCHEMBL13490583 0.75 CHRM2 (0.43) HTR2ACHRM2CHRM3ADRA2AADRA2B
SCHEMBL171474 0.75 P4HA1 (0.54) CHRM2CHRM3
SCHEMBL169498 0.74 ALDH1A1 (0.40) CHRM2CHRM3ADRA2AADRA2B
SCHEMBL1749915 0.73 SIGMAR1 (0.59) HTR2AHTR2CHTR6
SCHEMBL171123 0.73 HTR2A (0.39) HTR2ACHRM2CHRM3ADRA2AADRA2B

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 HTR2A 177/4885CHRM2 629/4885CHRM3 461/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HTR2A 160/4885CHRM2 578/4885CHRM3 428/4885

“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.