SCHEMBL171339

SCHEMBL171339

C1=C(c2ccc(-c3ccccc3)cn2)CNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 6/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
HPGDS O60760 2/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL13490583 0.87 CHRM2 (0.43) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL13490383 0.81 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL29140051 0.80 ADRA2A (0.61) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL171158 0.78 LTA4H (0.48) CHRM2CHRM3HTR2AHTR2CHTR2B
SCHEMBL171123 0.78 HTR2A (0.39) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL13490567 0.76 CCR1 (0.48) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL171659 0.76 HTR2A (0.47) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL13490378 0.76 HTR2A (0.47) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL13490562 0.76 HTR2A (0.47) CHRM2CHRM3HTR2AADRA2AADRA2B
SCHEMBL4789087 0.76 ADRA2A (0.59) CHRM2CHRM3HTR2AADRA2AADRA2B

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

“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.