SCHEMBL13490403

SCHEMBL13490403

Cc1nc(C2=CCCN(C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.45
CHRM2 P08172 3/20 0.43
CHRM3 P20309 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL23089313 0.77 CHRM1 (0.46) CHRM1CHRM2CHRM3IRAK4CHRNB2
SCHEMBL2201835 0.69 SIRT6 (0.53) CHRNB2CHRNA4
SCHEMBL13490645 0.69 CHRM2 (0.48) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL17962199 0.68 MEN1 (0.34) IRAK4
SCHEMBL12951109 0.67 CHRM2 (0.54) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL30962803 0.67 ALDH1A1 (0.45)
SCHEMBL6614664 0.66 ALDH1A1 (0.51)
SCHEMBL23114362 0.66 CHRM1 (0.51) CHRM1CHRM2CHRM3IRAK4CHRNB2
SCHEMBL23361693 0.66 STAT3 (0.45)
SCHEMBL19175063 0.65 MAPT (0.40) CHRM1

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
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-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 CHRM1 1156/4885CHRM2 629/4885CHRM3 461/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 CHRM1 1121/4885CHRM2 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.