SCHEMBL3576211

SCHEMBL3576211

O=C(O)N1CCCNCC1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA4 P22748 2/20 0.54
CA9 Q16790 2/20 0.54
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
SLC6A2 P23975 5/20 0.54
DPP4 P27487 4/20 0.49
REN P00797 1/20 0.48
DPP7 Q9UHL4 2/20 0.47
MC4R P32245 2/20 0.44
MC3R P41968 2/20 0.44
MC1R Q01726 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
MITF O75030 1/20 0.42

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
SCHEMBL2086686 1.00 CA1 (0.54) CA1CA2CA4CA9SLC6A4
SCHEMBL590923 0.91 CA1 (0.62) CA1CA2CA4CA9SLC6A4
SCHEMBL28045116 0.91 CA1 (0.62) CA1CA2CA4CA9SLC6A4
SCHEMBL874393 0.82 NR1H2 (0.52) CA1CA2CA4CA9SLC6A4
SCHEMBL877749 0.82 NR1H2 (0.52) CA1CA2CA4CA9SLC6A4
SCHEMBL877750 0.82 NR1H2 (0.52) CA1CA2CA4CA9SLC6A4
SCHEMBL23459127 0.80 SCD5 (0.57) DPP4MC4RMC3RMC1RGABRA1
SCHEMBL908981 0.80 SCD5 (0.57) DPP4MC4RMC3RMC1RGABRA1
SCHEMBL16673710 0.80 CA1 (0.52) CA1CA2CA4CA9SLC6A4
SCHEMBL4584365 0.80 CA1 (0.63) CA1CA2CA4CA9SLC6A4

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 7 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
EP-2562168-A1 Therapeutic piperazines as PDE4 inhibitors Helicon Therapeutics, Inc. (US) 2013-02-27 EP 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 (1 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 CA1 681/4885CA2 1141/4885CA4 377/4885

“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.