SCHEMBL682544

SCHEMBL682544

NC(=O)CC(=O)N1CCN(c2ccc(OC(F)F)c(OC3CCC3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.48
PDE4B Q07343 10/20 0.46
PDE4A P27815 9/20 0.46
PDE4C Q08493 9/20 0.46
ALK Q9UM73 2/20 0.41
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
RAB9A P51151 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL682979 0.88 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CCTSB
SCHEMBL682968 0.85 GFER (0.49) ALKCTSBCTSSCTSKRAB9A
SCHEMBL878173 0.81 PDE4B (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL878172 0.81 PDE4B (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL681899 0.80 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CCTSB
SCHEMBL2137901 0.80 PDE4B (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL681947 0.80 PDE4B (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL874477 0.79 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL682001 0.79 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL682973 0.75 GFER (0.50) ALKCTSBCTSSCTSKRAB9A

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 PDE4D 3/4885PDE4B 2/4885PDE4A 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.