SCHEMBL683078

SCHEMBL683078

NC(=O)CC(=O)N1CCN(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.51
PDE4B Q07343 13/20 0.51
PDE4A P27815 10/20 0.51
PDE4C Q08493 10/20 0.51
PDE1C Q14123 2/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
PDE2A O00408 1/20 0.39
PDE8A O60658 1/20 0.39
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL874976 1.00 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CPDE1C
SCHEMBL683079 0.92 NR1H2 (0.43) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL873460 0.92 NR1H2 (0.43) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL878172 0.89 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL682001 0.89 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL878173 0.89 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL874477 0.89 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL2138568 0.88 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CPDE1C
SCHEMBL683038 0.88 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CPDE1C
SCHEMBL882566 0.88 NR1H2 (0.43) NR1H2NR1H3

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

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

“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.