SCHEMBL13490679

SCHEMBL13490679

N#Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
THRB P10828 1/20 0.53
RET P07949 1/20 0.51
CHRM4 P08173 4/20 0.50
SMO Q99835 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
PRKAA2 P54646 3/20 0.48
CHRM2 P08172 2/20 0.47
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
ACHE P22303 2/20 0.46
AKT1 P31749 1/20 0.46

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
SCHEMBL169363 0.81 DRD2 (0.60) DRD2DRD4DRD3ACHE
SCHEMBL2821846 0.81 DRD2 (0.50) HRH3RETCHRM4DRD2DRD4
SCHEMBL13490548 0.80 DRD4 (0.52) DRD2DRD4DRD3CHRM2ACHE
SCHEMBL13490551 0.80 DRD2 (0.52) HRH3DRD2DRD4DRD3PRKAA2
SCHEMBL171620 0.80 HPGDS (0.55) RETDRD2DRD4DRD3ACHE
SCHEMBL7238995 0.80 HRH3 (0.65) HRH3THRBCHRM4DRD2DRD4
SCHEMBL13838788 0.79 USP30 (0.49) SMOCHRM1
Hydrochloric Acid SCHEMBL10625447 0.79 HRH3 (0.64) HRH3THRBCHRM4DRD2DRD4
SCHEMBL171260 0.77 FNTA (0.55) CHRM1
SCHEMBL171680 0.77 DRD2 (0.61) RETDRD2DRD4DRD3ACHE

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 4 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-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-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 HRH3 8/4885THRB 904/4885RET 142/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HRH3 7/4885THRB 745/4885RET 158/4885

“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.