SCHEMBL171060

SCHEMBL171060

N#Cc1ccc(C2=CCN(CCCN)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
SIGMAR1 Q99720 3/20 0.42
PARP1 P09874 2/20 0.41
CHRM1 P11229 1/20 0.40
KCNA3 P22001 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL171676 0.79 DRD4 (0.49) DRD2DRD4DRD3CHRM1HRH3
SCHEMBL23302792 0.75 PARP1 (0.44) DRD2DRD4DRD3SIGMAR1PARP1
SCHEMBL30195338 0.74 PARP1 (0.50) PARP1
SCHEMBL23302453 0.74 PARP1 (0.50) PARP1
SCHEMBL19968703 0.74 SIGMAR1 (0.43) SIGMAR1
SCHEMBL30195507 0.73 PARP1 (0.55) PARP1
SCHEMBL23302553 0.73 PARP1 (0.55) PARP1
SCHEMBL23302441 0.73 PARP1 (0.43) PARP1
SCHEMBL30195635 0.73 PARP1 (0.43) PARP1
SCHEMBL23303489 0.72 PARP1 (0.49) PARP1

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 5 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-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 DRD2 130/4885DRD4 112/4885DRD3 448/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 DRD2 112/4885DRD4 107/4885DRD3 407/4885

“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.