SCHEMBL2086293

SCHEMBL2086293

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA9 Q16790 2/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.46
MC4R P32245 2/20 0.45
MC3R P41968 2/20 0.45
MC1R Q01726 2/20 0.45
DPP4 P27487 3/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
DPP7 Q9UHL4 2/20 0.43

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
SCHEMBL2085039 1.00 GBA1 (0.50) GBA1CA1CA2CA4CA9
SCHEMBL2085038 1.00 GBA1 (0.50) GBA1CA1CA2CA4CA9
SCHEMBL28045116 0.87 CA1 (0.62) CA1CA2CA4CA9SLC6A2
SCHEMBL590923 0.87 CA1 (0.62) CA1CA2CA4CA9SLC6A2
SCHEMBL18862950 0.84 HSD11B1 (0.48) MC4RMC3RMC1RGABRA1GABRG2
SCHEMBL18862951 0.84 HSD11B1 (0.48) MC4RMC3RMC1RGABRA1GABRG2
SCHEMBL873789 0.82 NR1H2 (0.51) GBA1CA1CA2CA4CA9
SCHEMBL2083157 0.82 NR1H2 (0.51) GBA1CA1CA2CA4CA9
SCHEMBL873617 0.82 NR1H2 (0.51) GBA1CA1CA2CA4CA9
SCHEMBL23459127 0.81 SCD5 (0.57) KMT2AMC4RMC3RMC1RDPP4

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 11 patents. 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 disclosed
EP-2562168-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2014-04-16 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
US-20110065689-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-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 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
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 (3 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-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 GBA1 849/4885CA1 681/4885CA2 1141/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 GBA1 849/4885CA1 681/4885CA2 1141/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 GBA1 849/4885CA1 681/4885CA2 1141/4885

“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.