SCHEMBL683235

SCHEMBL683235

COc1ccc(N2CCNCC2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.56
TLR9 Q9NR96 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
PDE4A P27815 2/20 0.50
HTR7 P34969 2/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HTR1A P08908 2/20 0.49
ADRB1 P08588 3/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48

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
SCHEMBL874294 0.97 PDE4B (0.53) PDE4BTLR9TLR7PDE4AHTR7
SCHEMBL361649 0.85 ADRB1 (0.61) HTR7HTR1AADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL2156292 0.84 ADRB1 (0.59) TLR9TLR7HTR7HTR1AADRB1
Hydrochloric Acid SCHEMBL7711565 0.84 ADRB1 (0.59) TLR9TLR7HTR7HTR1AADRB1
SCHEMBL16476067 0.83 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL882672 0.82 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL10267073 0.81 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL4981272 0.81 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL682890 0.80 PDE4B (0.46) PDE4BTLR9TLR7PDE4APDE4C
SCHEMBL2084595 0.80 PDE4B (0.46) PDE4BTLR9TLR7PDE4APDE4C

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989188-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2015-07-22 EP claimed
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD (KY) 2014-02-06 US claimed
US-8338405-B2 Therapeutic piperazines DART NEUROSCIENCE LLC (US) 2012-12-25 US claimed
US-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US claimed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US claimed
EP-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP claimed
WO-2007100852-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO claimed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US claimed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
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
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
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
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
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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 (4 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 2/4885TLR9 3206/4885TLR7 3108/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 PDE4B 2/4885TLR9 3934/4885TLR7 3454/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 PDE4B 2/4885TLR9 3934/4885TLR7 3454/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B PDE4B 3/4885TLR9 3260/4885TLR7 3342/4885

“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.