SCHEMBL873416

SCHEMBL873416

[CH2]C(=O)NOCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
EPHX2 P34913 2/20 0.49
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1990363 0.83 NPC1 (0.69) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL295136 0.83 NPC1 (0.69) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL28333508 0.82 RAB9A (0.46) NPC1RAB9APARP10ALDH1A1HDAC3
SCHEMBL693305 0.82 NPC1 (0.67) NPC1RAB9AEPHX2PARP10ALDH1A1
Hydrochloric Acid SCHEMBL28989899 0.82 NPC1 (0.67) NPC1RAB9AEPHX2ALDH1A1HDAC3
Hydrogen Sulfide SCHEMBL5919025 0.82 NPC1 (0.67) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL680273 0.80 NPC1 (0.65) NPC1RAB9AEPHX2ALDH1A1
SCHEMBL6509893 0.80 NPC1 (0.65) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL14852000 0.80 NPC1 (0.65) NPC1RAB9AEPHX2ALDH1A1HDAC3
SCHEMBL5212482 0.80 NPC1 (0.65) NPC1RAB9AEPHX2ALDH1A1HDAC3

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 39 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
EP-2562168-B1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2014-04-16 EP claimed
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD (KY) 2014-02-06 US claimed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
US-8501745-B2 Piperazine PDE4 inhibitors and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-08-06 US claimed
EP-2562168-A1 Therapeutic piperazines as PDE4 inhibitors Helicon Therapeutics, Inc. (US) 2013-02-27 EP claimed
US-8338405-B2 Therapeutic piperazines DART NEUROSCIENCE LLC (US) 2012-12-25 US claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
US-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US claimed
US-20110065689-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-4861793-A D-nor-7-ergoline derivatives having anti-Parkinson and antipsychosis activity and pharmaceutical compositions containing them FARMITALIA CARLO ERBA, S.P.A (IT) 1989-08-29 US claimed
EP-0240986-A2 D-Nor-7-ergoline derivatives, process for preparing them, pharmaceutical composition and use FARMITALIA CARLO ERBA S.r.l. (IT) 1987-10-14 EP claimed
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-4861793-A D-nor-7-ergoline derivatives having anti-Parkinson and antipsychosis activity and pharmaceutical compositions containing them FARMITALIA CARLO ERBA, S.P.A (IT) 1989-08-29 US disclosed
EP-0240986-A2 D-Nor-7-ergoline derivatives, process for preparing them, pharmaceutical composition and use FARMITALIA CARLO ERBA S.r.l. (IT) 1987-10-14 EP 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 (5 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 NPC1 1753/4885RAB9A 1819/4885EPHX2 1277/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 NPC1 1753/4885RAB9A 1819/4885EPHX2 1277/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 NPC1 1753/4885RAB9A 1819/4885EPHX2 1277/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D NPC1 1880/4885RAB9A 1524/4885EPHX2 1311/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B NPC1 2855/4885RAB9A 1888/4885EPHX2 730/4885

“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.