SCHEMBL681898

SCHEMBL681898

COc1ccc(N2CCN(C(C)=O)CC2)cc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.64
PDE4D Q08499 5/20 0.54
PDE4A P27815 3/20 0.54
PDE4C Q08493 3/20 0.54
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
MAPK14 Q16539 1/20 0.51
ALK Q9UM73 1/20 0.51

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
SCHEMBL682541 0.87 ALK (0.49) PDE4BPDE4DPDE4APDE4CALK
SCHEMBL681899 0.82 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCTSB
SCHEMBL682979 0.82 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCTSB
SCHEMBL16476067 0.82 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL882288 0.81 TACR3 (0.48) PDE4BPDE4DPDE4APDE4CCTSB
SCHEMBL18744666 0.81 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CCTSB
SCHEMBL683235 0.79 PDE4B (0.56) PDE4BPDE4DPDE4APDE4C
SCHEMBL6539208 0.79 GFER (0.57)
SCHEMBL1911851 0.79 TGFBR1 (0.54) ALK
SCHEMBL19002643 0.79 GFER (0.53) ALK

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 PDE4B 2/4885PDE4D 3/4885PDE4A 1/4885

“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.