SCHEMBL876732

SCHEMBL876732

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
PDE4B Q07343 8/20 0.45
ABCB1 P08183 1/20 0.43
CHRM4 P08173 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
PDE4A P27815 2/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL682652 1.00 NR1H2 (0.47) NR1H2NR1H3PDE4BABCB1CHRM4
SCHEMBL682651 0.96 PDE4B (0.50) NR1H2NR1H3PDE4BPDE4A
SCHEMBL2140386 0.96 PDE4B (0.48) NR1H2NR1H3PDE4BPDE4A
SCHEMBL682038 0.96 PDE4B (0.48) NR1H2NR1H3PDE4BPDE4A
SCHEMBL2141419 0.96 PDE4B (0.50) NR1H2NR1H3PDE4BPDE4A
SCHEMBL878136 0.91 PDE4B (0.44) NR1H2NR1H3PDE4BABCB1CHRM4
SCHEMBL683054 0.91 PDE4B (0.44) NR1H2NR1H3PDE4BABCB1CHRM4
SCHEMBL873257 0.89 PDE4B (0.51) NR1H2NR1H3PDE4BPDE4A
SCHEMBL682529 0.89 PDE4B (0.50) NR1H2NR1H3PDE4BPDE4A
SCHEMBL873628 0.89 PDE4B (0.50) NR1H2NR1H3PDE4BPDE4A

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