SCHEMBL873479

SCHEMBL873479

COc1ccc(N2CCN(C(=O)CC(N)=O)C(Cc3ccccc3)C2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.42
▸ PDE11A Q9HCR9 10/20 0.42
▸ PDE10A Q9Y233 7/20 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
SCHEMBL682008 1.00 PDE4B (0.42) PDE4BPDE11APDE10A
SCHEMBL2140850 0.92 PDE4B (0.45) PDE4BPDE11APDE10A
SCHEMBL2140842 0.92 PDE4B (0.45) PDE4BPDE11APDE10A
SCHEMBL683255 0.91 PDE4B (0.41) PDE4BPDE11APDE10A
SCHEMBL2138510 0.91 PDE4B (0.41) PDE4BPDE11APDE10A
SCHEMBL873766 0.87 PDE4B (0.42) PDE4BPDE11APDE10A
SCHEMBL682661 0.87 PDE4B (0.42) PDE4BPDE11APDE10A
SCHEMBL683124 0.86 PDE4B (0.41) PDE4BPDE11APDE10A
SCHEMBL873883 0.86 PDE4B (0.41) PDE4BPDE11APDE10A
SCHEMBL882312 0.85 PDE4B (0.37) PDE4BPDE11APDE10A

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 2/4885PDE11A 64/4885PDE10A 12/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE11A 64/4885PDE10A 12/4885

“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.

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