SCHEMBL874399

SCHEMBL874399

O=C1CN(Cc2ccccc2)C(=O)C(C(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
EPHX2 P34913 1/20 0.47
OPRK1 P41145 3/20 0.46
ALDH1A1 P00352 3/20 0.44
TACR1 P25103 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6344615 1.00 HDAC6 (0.48) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL874400 1.00 HDAC6 (0.48) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL4107301 0.87 ALDH1A1 (0.58) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL6305485 0.87 ALDH1A1 (0.58) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL31435157 0.84 HDAC6 (0.50) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL8576433 0.80 OPRK1 (0.54) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL8576437 0.80 OPRK1 (0.54) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL6333612 0.80 OPRK1 (0.53) OPRK1TACR1
SCHEMBL3492685 0.78 GAA (0.59) HDAC6HDAC1HDAC8EPHX2OPRK1
SCHEMBL4631086 0.78 GAA (0.59) HDAC6HDAC1HDAC8EPHX2OPRK1

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 18 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-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 (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 HDAC6 291/4885HDAC1 224/4885HDAC8 913/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 HDAC6 203/4885HDAC1 104/4885HDAC8 498/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 HDAC6 203/4885HDAC1 104/4885HDAC8 498/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 HDAC6 203/4885HDAC1 104/4885HDAC8 498/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HDAC6 291/4885HDAC1 224/4885HDAC8 913/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B HDAC6 489/4885HDAC1 239/4885HDAC8 782/4885

“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.