SCHEMBL5479463

SCHEMBL5479463

COc1cc2ccnc(N3CCCC(N4CCCCC4=O)C3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.43
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ENPP1 P22413 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE10A Q9Y233 1/20 0.36
VNN1 O95497 1/20 0.36
MET P08581 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
DPP4 P27487 3/20 0.36

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
SCHEMBL4717317 1.00 PDE3A (0.43) PDE3AHCRTR1HCRTR2CCNCCDK8
SCHEMBL14341441 1.00 PDE3A (0.43) PDE3AHCRTR1HCRTR2CCNCCDK8
SCHEMBL14341442 0.84 EHMT2 (0.51) PDE3AHCRTR1HCRTR2CCNCCDK8
SCHEMBL4717969 0.84 EHMT2 (0.51) PDE3AHCRTR1HCRTR2CCNCCDK8
SCHEMBL4164651 0.84 PDE10A (0.46) PDE3AHCRTR1HCRTR2CCNCCDK8
SCHEMBL4791600 0.84 PDE10A (0.46) PDE3AHCRTR1HCRTR2CCNCCDK8
SCHEMBL5651013 0.83 PDE3A (0.60) PDE3AENPP1PDE3BPDE10A
SCHEMBL8235019 0.83 KDM4E (0.44) PDE3AHCRTR1HCRTR2ENPP1PDE10A
SCHEMBL5479465 0.80 HCRTR1 (0.39) HCRTR1HCRTR2DPP4
SCHEMBL5653291 0.74 PDE10A (0.46) PDE3AENPP1PDE10AEHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 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 (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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A PDE3A 11/4885HCRTR1 1197/4885HCRTR2 1699/4885

“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.