SCHEMBL876795

SCHEMBL876795

CCOc1ccc(N2CCN(C(=O)Cc3n[nH]c(C)n3)[C@@H](Cn3cccn3)C2)cc1OC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
OPRK1 P41145 3/20 0.34
PDE4B Q07343 5/20 0.33
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
DGAT2 Q96PD7 10/20 0.33
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL876796 1.00 ACACB (0.35) ACACBOPRK1PDE4BPDE4APDE4C
SCHEMBL2139553 0.85 ACACB (0.40) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL2139548 0.85 ACACB (0.40) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL2138353 0.83 OPRK1 (0.42) OPRK1PDE4BPDE4D
SCHEMBL2138363 0.83 OPRK1 (0.42) OPRK1PDE4BPDE4D
SCHEMBL682962 0.82 KDM4E (0.40) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL877167 0.81 PDE4D (0.44) OPRK1PDE4BPDE4APDE4CPDE4D
SCHEMBL877168 0.81 PDE4D (0.44) OPRK1PDE4BPDE4APDE4CPDE4D
SCHEMBL877637 0.79 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL683342 0.79 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D

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 14 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
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-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-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

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 ACACB 3553/4885OPRK1 601/4885PDE4B 2/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ACACB 3553/4885OPRK1 601/4885PDE4B 2/4885

“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.