SCHEMBL682733

SCHEMBL682733

CCOC(=O)CC(=O)N1CCN(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.47
PDE4A P27815 8/20 0.47
PDE4C Q08493 8/20 0.47
PDE4D Q08499 8/20 0.47
PDE1C Q14123 4/20 0.41
ACACB O00763 2/20 0.40
ABCB11 O95342 1/20 0.38

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
SCHEMBL12472468 0.93 PDE4D (0.42) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL2136746 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL683038 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL2138568 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL683015 0.89 PDE4D (0.46) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL683367 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL2137400 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE1C
SCHEMBL876966 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL683006 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL875390 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 5/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 5/4885

“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.