SCHEMBL876545

SCHEMBL876545

CCOc1ccc(N2CCNC(Cn3cccn3)C2)cc1OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
PDE7A Q13946 1/20 0.35
ACACB O00763 1/20 0.35
DGAT2 Q96PD7 11/20 0.35
SSTR5 P35346 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL682606 1.00 PDE4B (0.36) PDE4BPDE3APOLBPDE4APDE4C
SCHEMBL878498 0.82 POLB (0.40) PDE4BPDE3APOLBPDE4APDE4C
SCHEMBL682879 0.82 POLB (0.40) PDE4BPDE3APOLBPDE4APDE4C
SCHEMBL10266501 0.81 PDE4B (0.42) PDE4BPDE3APOLBPDE4APDE4C
SCHEMBL2140589 0.80 DGAT2 (0.39) PDE4BPOLBPDE4APDE4CPDE4D
SCHEMBL682593 0.80 DGAT2 (0.39) PDE4BPOLBPDE4APDE4CPDE4D
SCHEMBL2139548 0.80 ACACB (0.40) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL2139553 0.80 ACACB (0.40) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL876796 0.74 ACACB (0.35) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL876795 0.74 ACACB (0.35) PDE4BPDE3APDE4APDE4CPDE4D

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 2/4885PDE3A 8/4885POLB 3240/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE3A 8/4885POLB 3240/4885

“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.