SCHEMBL16388299

SCHEMBL16388299

CC(=O)C1CCCCN1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ACE P12821 4/20 0.33
REN P00797 2/20 0.33
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
PEPD P12955 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL26723935 1.00 PARP1 (0.36) PARP1KDM4EACERENF2
SCHEMBL57300 0.94 ACE (0.38) PARP1KDM4EACERENF2
SCHEMBL13233696 0.94 ACE (0.38) PARP1KDM4EACERENF2
SCHEMBL16000536 0.94 ACE (0.38) PARP1KDM4EACERENF2
SCHEMBL16000556 0.85 PARP1 (0.32) PARP1ALDH1A1
SCHEMBL14546267 0.85 PARP1 (0.32) PARP1ALDH1A1
SCHEMBL14569832 0.85 PARP1 (0.32) PARP1ALDH1A1
SCHEMBL584217 0.84 ACE (0.44) KDM4EACERENF2LMNA
SCHEMBL584218 0.84 ACE (0.44) KDM4EACERENF2LMNA
SCHEMBL58639 0.84 ACE (0.44) KDM4EACERENF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 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-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A PARP1 720/4885KDM4E 1588/4885ACE 904/4885

“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.