SCHEMBL877357

SCHEMBL877357

COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CN3CCCC3)C2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.54
PDE4A P27815 6/20 0.50
PDE4C Q08493 6/20 0.50
PDE4D Q08499 6/20 0.50
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43

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
SCHEMBL877358 1.00 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL878177 0.88 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL878176 0.88 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL3465752 0.86 OPRK1 (0.51) NR1H2NR1H3
SCHEMBL13163056 0.86 OPRK1 (0.51) NR1H2NR1H3
SCHEMBL681787 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL2139679 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL874412 0.84 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL873857 0.82 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL2137341 0.82 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DNR1H2

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 6 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-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 1/4885PDE4C 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.