SCHEMBL878137

SCHEMBL878137

COc1ccc(N2CCN(S(N)(=O)=O)C(Cc3ccccc3)C2)cc1OC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.43
PDE4A P27815 8/20 0.43
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL683067 1.00 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL682037 0.98 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL2139333 0.98 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL683244 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL878307 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL2087039 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL18744614 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL681843 0.89 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL878265 0.88 FKBP1A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL681848 0.88 FKBP1A (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
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-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 (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.