SCHEMBL873311

SCHEMBL873311

Cc1cccc(CC2CNCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
PARP1 P09874 1/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
CYP3A4 P08684 1/20 0.50
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
DPP7 Q9UHL4 2/20 0.40
POLB P06746 2/20 0.40
GRM5 P41594 1/20 0.40
REN P00797 2/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL27803548 0.89 PARP1 (0.50) DPP4PARP1HCRTR1HCRTR2CYP3A4
SCHEMBL4315865 0.88 PARP1 (0.49) DPP4PARP1HCRTR1HCRTR2CYP3A4
SCHEMBL30642958 0.88 NR1H2 (0.49) DPP4PARP1HCRTR1HCRTR2CYP3A4
SCHEMBL873429 0.88 PARP1 (0.54) DPP4PARP1NR1H2NR1H3CA1
SCHEMBL4309187 0.88 PARP1 (0.54) DPP4PARP1NR1H2NR1H3CA1
SCHEMBL873458 0.88 PARP1 (0.54) DPP4PARP1NR1H2NR1H3CA1
SCHEMBL874385 0.87 PARP1 (0.48) DPP4PARP1HCRTR1HCRTR2CYP3A4
SCHEMBL874327 0.86 PARP1 (0.56) DPP4PARP1HCRTR1HCRTR2CYP3A4
SCHEMBL6132823 0.86 PARP1 (0.56) DPP4PARP1HCRTR1HCRTR2CYP3A4
SCHEMBL5363650 0.84 PARP1 (0.54) DPP4PARP1HCRTR1HCRTR2CYP3A4

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 16 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
EP-2562168-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2014-04-16 EP 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 DPP4 125/4885PARP1 748/4885HCRTR1 225/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 DPP4 76/4885PARP1 1492/4885HCRTR1 430/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 DPP4 76/4885PARP1 1492/4885HCRTR1 430/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 DPP4 76/4885PARP1 1492/4885HCRTR1 430/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D DPP4 125/4885PARP1 748/4885HCRTR1 225/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B DPP4 35/4885PARP1 915/4885HCRTR1 1633/4885

“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.