SCHEMBL878136

SCHEMBL878136

COc1ccc(N2CCN(C(=O)CC(N)=O)C(Cc3ccccc3)C2)cc1OC1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
CHRM4 P08173 3/20 0.42
ABCB1 P08183 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCR1 P32246 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TRPC6 Q9Y210 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
SCHEMBL683054 1.00 PDE4B (0.44) PDE4BNR1H2NR1H3CHRM4ABCB1
SCHEMBL873675 0.96 PDE4B (0.49) PDE4BNR1H2NR1H3PDE4APDE4C
SCHEMBL877035 0.96 PDE4B (0.47) PDE4BNR1H2NR1H3CHRM4PDE4A
SCHEMBL877034 0.96 PDE4B (0.47) PDE4BNR1H2NR1H3CHRM4PDE4A
SCHEMBL682947 0.96 PDE4B (0.49) PDE4BNR1H2NR1H3PDE4APDE4C
SCHEMBL682652 0.91 NR1H2 (0.47) PDE4BNR1H2NR1H3CHRM4ABCB1
SCHEMBL876732 0.91 NR1H2 (0.47) PDE4BNR1H2NR1H3CHRM4ABCB1
SCHEMBL875123 0.90 NR1H2 (0.43) NR1H2NR1H3CHRM4ABCB1MEN1
SCHEMBL882566 0.90 NR1H2 (0.43) NR1H2NR1H3CHRM4ABCB1MEN1
SCHEMBL2135324 0.90 PDE4B (0.47) PDE4BNR1H2NR1H3CHRM4PDE4A

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
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
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 2/4885NR1H2 835/4885NR1H3 1194/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4B 2/4885NR1H2 835/4885NR1H3 1194/4885

“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.