SCHEMBL873456

SCHEMBL873456

FC(F)Oc1ccc(N2CCN[C@@H](c3ccccc3)C2)cc1OC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.40
PDE4A P27815 8/20 0.40
PDE4D Q08499 7/20 0.40
PDE4C Q08493 6/20 0.40
PDE10A Q9Y233 1/20 0.40
TACR1 P25103 1/20 0.37
GSK3B P49841 2/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2140730 1.00 PDE4B (0.40) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL873454 0.98 PDE4D (0.42) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL2138522 0.98 PDE4D (0.42) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL682886 0.85 PDE10A (0.50) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL2087796 0.85 PDE10A (0.50) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL873607 0.85 PDE4D (0.45) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL2139197 0.85 PDE4D (0.45) PDE4BPDE4APDE4DPDE4CPDE10A
SCHEMBL2138371 0.84 PDE4A (0.46) PDE4BPDE4APDE4DPDE4CKCNH2
SCHEMBL681792 0.84 PDE4A (0.46) PDE4BPDE4APDE4DPDE4CKCNH2
SCHEMBL682874 0.82 PDE4D (0.48) PDE4BPDE4APDE4DPDE4C

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
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
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP 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

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 1/4885PDE4D 3/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4D 3/4885

“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.