SCHEMBL682962

SCHEMBL682962

CCOc1ccc(N2CCN(C(=O)Cc3n[nH]c(C)n3)CC2)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR1 P32246 1/20 0.40
PDE4B Q07343 4/20 0.39
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ACACB O00763 1/20 0.38
ALK Q9UM73 2/20 0.37

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
SCHEMBL682542 0.91 PDE4D (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL876795 0.82 ACACB (0.35) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL876796 0.82 ACACB (0.35) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL10267192 0.79 CTSB (0.44) CCR1PDE4BPDE4DPDE4APDE4C
SCHEMBL682541 0.79 ALK (0.49) KDM4EALDH1A1GAAL3MBTL1PDE4B
SCHEMBL682752 0.76 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL2138353 0.76 OPRK1 (0.42) PDE4BPDE4D
SCHEMBL2138363 0.76 OPRK1 (0.42) PDE4BPDE4D
SCHEMBL2136806 0.76 PDE4B (0.41) PDE4BPDE4DPDE4APDE4C
SCHEMBL877637 0.75 PDE4B (0.42) PDE4BPDE4DPDE4APDE4C

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-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D KDM4E 1159/4885ALDH1A1 1228/4885GAA 2428/4885

“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.