SCHEMBL874599

SCHEMBL874599

CC(C)CC1CN(c2ccc(OC(F)F)c(OCC3CC3)c2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
PDE4D Q08499 14/20 0.46
PDE4B Q07343 8/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
ACACB O00763 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
SCHEMBL682910 1.00 PRKCA (0.47) PRKCAPRKCQPRKCDPDE4DPDE4B
SCHEMBL2140001 0.87 PDE4D (0.47) PRKCAPRKCQPRKCDPDE4DPDE4B
SCHEMBL681815 0.87 PDE4D (0.47) PRKCAPRKCQPRKCDPDE4DPDE4B
SCHEMBL2136570 0.86 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL683205 0.86 PDE4D (0.48) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL873645 0.85 PDE4D (0.47) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL2138519 0.85 PDE4D (0.47) PDE4DPDE4BPDE4APDE4C
SCHEMBL29024943 0.82 PDE4B (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL2139197 0.81 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL873607 0.81 PDE4D (0.45) PDE4DPDE4BPDE4APDE4C

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
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 PRKCA 220/4885PRKCQ 180/4885PRKCD 485/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PRKCA 220/4885PRKCQ 180/4885PRKCD 485/4885

“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.