SCHEMBL878498

SCHEMBL878498

CCOc1ccc(N2CCNC(Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
DGAT2 Q96PD7 4/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE7A Q13946 1/20 0.39
KHK P50053 1/20 0.39
C5AR1 P21730 1/20 0.38
PDE3A Q14432 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL682879 1.00 POLB (0.40) POLBDGAT2PDE4APDE4BPDE4C
SCHEMBL682593 0.98 DGAT2 (0.39) POLBDGAT2PDE4APDE4BPDE4C
SCHEMBL2140589 0.98 DGAT2 (0.39) POLBDGAT2PDE4APDE4BPDE4C
SCHEMBL873510 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL683208 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL682872 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL873912 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL681799 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL2140024 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKHK
SCHEMBL682892 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKHK

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 POLB 3240/4885DGAT2 3656/4885PDE4A 1/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D POLB 3240/4885DGAT2 3656/4885PDE4A 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.