SCHEMBL10154077

SCHEMBL10154077

CNCc1cccc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.50
CYP3A4 P08684 1/20 0.49
TRPV3 Q8NET8 2/20 0.47
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
CXCR4 P61073 1/20 0.45
GAA P10253 1/20 0.44
PIK3CB P42338 3/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PIK3CA P42336 1/20 0.41
OGA O60502 1/20 0.41

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
SCHEMBL10272910 0.83 PDE10A (0.53) PDE10AKLKB1KLK1CXCR4GAA
SCHEMBL29227340 0.80 PDE10A (0.50) PDE10AKLKB1KLK1CXCR4GAA
SCHEMBL29907771 0.80 PDE10A (0.50) PDE10AKLKB1KLK1CXCR4GAA
SCHEMBL6475308 0.80 GAA (0.51) PDE10ATRPV3KLKB1KLK1CXCR4
SCHEMBL29866072 0.80 PDE10A (0.50) PDE10ACXCR4GAAHTTTSHR
SCHEMBL1844501 0.80 PDE10A (0.50) PDE10ACXCR4GAAHTTTSHR
SCHEMBL1303138 0.80 PDE10A (0.50) PDE10AKLKB1KLK1CXCR4GAA
SCHEMBL9944490 0.79 PDE10A (0.50) PDE10ACYP3A4KLKB1KLK1CXCR4
SCHEMBL6843345 0.78 GAA (0.59) PDE10ACXCR4GAAHTTTSHR
SCHEMBL17503897 0.77 KLKB1 (0.53) PDE10ACYP3A4KLKB1KLK1CXCR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO 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 (1 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PDE10A 3241/4885CYP3A4 2583/4885TRPV3 2917/4885

“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.