SCHEMBL2138265

SCHEMBL2138265

COc1ccc(N2CCN(C(=O)Cc3ccncn3)C(Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.50
PDE4B Q07343 8/20 0.43
PDE4D Q08499 5/20 0.41
PDE4C Q08493 4/20 0.41

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
SCHEMBL681959 1.00 PDE4A (0.50) PDE4APDE4BPDE4DPDE4C
SCHEMBL682747 0.91 PDE4B (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL2140445 0.91 PDE4B (0.44) PDE4APDE4BPDE4DPDE4C
SCHEMBL877074 0.90 CYP3A4 (0.43) PDE4APDE4BPDE4DPDE4C
SCHEMBL877075 0.90 CYP3A4 (0.43) PDE4APDE4BPDE4DPDE4C
SCHEMBL683377 0.90 PDE4A (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL2142897 0.90 PDE4A (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL683043 0.89 PDE4A (0.43) PDE4APDE4BPDE4DPDE4C
SCHEMBL2136949 0.89 PDE4A (0.43) PDE4APDE4BPDE4DPDE4C
SCHEMBL682749 0.88 PDE4B (0.46) PDE4APDE4BPDE4DPDE4C

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 8 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 claimed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US claimed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US 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 PDE4A 1/4885PDE4B 2/4885PDE4D 3/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4D 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.