SCHEMBL873617

SCHEMBL873617

CC(C)(C)OC(=O)N1CCNCC[C@@H]1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
DPP4 P27487 1/20 0.44
PARP1 P09874 2/20 0.44
HDAC1 Q13547 1/20 0.44
STS P08842 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
GPR119 Q8TDV5 2/20 0.42
KMT2A Q03164 1/20 0.41
GBA1 P04062 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KLK7 P49862 2/20 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
SCHEMBL2083157 1.00 NR1H2 (0.51) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL873789 1.00 NR1H2 (0.51) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL873429 0.89 PARP1 (0.54) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL873458 0.89 PARP1 (0.54) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL4309187 0.89 PARP1 (0.54) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL28334140 0.87 NR1H2 (0.56) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL28334137 0.87 NR1H2 (0.56) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL23540172 0.86 NR1H2 (0.50) NR1H2NR1H3DPP4PARP1HDAC1
SCHEMBL698422 0.85 NR1H2 (0.54) NR1H2NR1H3DPP4HDAC1STS
SCHEMBL698218 0.85 NR1H2 (0.54) NR1H2NR1H3DPP4HDAC1STS

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 15 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 disclosed
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP 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-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD (KY) 2014-02-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
US-8501745-B2 Piperazine PDE4 inhibitors and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-08-06 US disclosed
EP-2562168-A1 Therapeutic piperazines as PDE4 inhibitors Helicon Therapeutics, Inc. (US) 2013-02-27 EP disclosed
US-8338405-B2 Therapeutic piperazines DART NEUROSCIENCE LLC (US) 2012-12-25 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-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US disclosed
US-20110065689-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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 (6 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 1194/4885DPP4 125/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 NR1H2 744/4885NR1H3 1001/4885DPP4 76/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 NR1H2 744/4885NR1H3 1001/4885DPP4 76/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 NR1H2 744/4885NR1H3 1001/4885DPP4 76/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NR1H2 835/4885NR1H3 1194/4885DPP4 125/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B NR1H2 1835/4885NR1H3 2197/4885DPP4 35/4885

“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.