SCHEMBL682598

SCHEMBL682598

COc1ccc(N2CCN(Cc3cccc(O)c3)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 6/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40

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
SCHEMBL873594 1.00 PDE4B (0.45) PDE4BLMNAMEN1KMT2APDE4A
SCHEMBL2142271 0.92 LMNA (0.48) PDE4BLMNAPDE4ANR1H2NR1H3
SCHEMBL683004 0.92 LMNA (0.48) PDE4BLMNAPDE4ANR1H2NR1H3
SCHEMBL2085028 0.92 PDE4A (0.50) PDE4BLMNAPDE4ANR1H2NR1H3
SCHEMBL682509 0.92 PDE4A (0.50) PDE4BLMNAPDE4ANR1H2NR1H3
SCHEMBL2087118 0.87 PDE4A (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL682635 0.87 PDE4A (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL682915 0.86 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL2087008 0.86 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL682512 0.85 PDE4B (0.46) PDE4BLMNAPDE4APDE4CPDE4D

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 11 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-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-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US 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
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 PDE4B 2/4885LMNA 2956/4885MEN1 4385/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885LMNA 2956/4885MEN1 4385/4885

“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.