SCHEMBL873250

SCHEMBL873250

CC(C)(C)OC(=O)N1CCNCC1CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.46
▸ NR1H2 P55055 2/20 0.44
▸ NR1H3 Q13133 2/20 0.44
▸ SIGMAR1 Q99720 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ FKBP1A P62942 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ STS P08842 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL27904548 1.00 PARP1 (0.46) PARP1NR1H2NR1H3SIGMAR1CA1
SCHEMBL4710881 0.93 PARP1 (0.48) PARP1NR1H2NR1H3CA1CA2
SCHEMBL873429 0.86 PARP1 (0.54) PARP1NR1H2NR1H3CA1CA2
SCHEMBL4309187 0.86 PARP1 (0.54) PARP1NR1H2NR1H3CA1CA2
SCHEMBL873458 0.86 PARP1 (0.54) PARP1NR1H2NR1H3CA1CA2
SCHEMBL13086758 0.83 MEN1 (0.50) FKBP1AMMP1MMP3MMP9MMP8
SCHEMBL1624152 0.82 PARP1 (0.48) PARP1NR1H2NR1H3CA1CA2
SCHEMBL5796411 0.82 PARP1 (0.48) PARP1NR1H2NR1H3CA1CA2
SCHEMBL874221 0.82 PARP1 (0.48) PARP1NR1H2NR1H3CA1CA2
SCHEMBL4844436 0.82 PARP1 (0.46) PARP1NR1H2NR1H3

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 19 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
CN-101490017-A Therapeutic piperazines as PDE4 inhibitors HELICON THERAPEUTICS INC (US) 2009-07-22 — — CN disclosed
EP-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 — — EP disclosed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 — — WO 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 PARP1 748/4885NR1H2 835/4885NR1H3 1194/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 PARP1 1492/4885NR1H2 744/4885NR1H3 1001/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 PARP1 1492/4885NR1H2 744/4885NR1H3 1001/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 PARP1 1492/4885NR1H2 744/4885NR1H3 1001/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PARP1 748/4885NR1H2 835/4885NR1H3 1194/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B PARP1 915/4885NR1H2 1835/4885NR1H3 2197/4885

“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.

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