SCHEMBL13490495

SCHEMBL13490495

c1cc(C2CCCC2)nc(C2CCCNC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
CHEK1 O14757 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
PARP1 P09874 1/20 0.43
PRMT5 O14744 1/20 0.43
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL13490696 0.85 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL13490697 0.85 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL13490494 0.85 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL13490498 0.85 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL171349 0.85 CHEK1 (0.50) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL171375 0.85 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL23554277 0.81 DRD2 (0.41) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL171362 0.81 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL171406 0.81 DRD2 (0.44) DRD2DRD3CHEK1CCNA2CDK2
SCHEMBL29549881 0.81 DRD2 (0.41) DRD2DRD3CHEK1CCNA2CDK2

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 DRD2 130/4885DRD3 448/4885CHEK1 3246/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 DRD2 112/4885DRD3 407/4885CHEK1 3330/4885

“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.