SCHEMBL873459

SCHEMBL873459

Cc1ccccc1CC1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
DPP4 P27487 6/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 1/20 0.39
REN P00797 1/20 0.39
SSTR4 P31391 1/20 0.38
MAPK1 P28482 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4325111 0.88 DPP4 (0.51) PARP1NR1H2NR1H3DPP4CA1
SCHEMBL2086518 0.87 PARP1 (0.50) PARP1NR1H2NR1H3DPP4CA1
SCHEMBL874154 0.87 PARP1 (0.50) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL4325120 0.86 PARP1 (0.49) PARP1NR1H2NR1H3DPP4DPP7
SCHEMBL4325154 0.85 PARP1 (0.48) PARP1NR1H2NR1H3DPP4CA1
SCHEMBL873429 0.85 PARP1 (0.54) PARP1NR1H2NR1H3DPP4CA1
SCHEMBL873458 0.85 PARP1 (0.54) PARP1NR1H2NR1H3DPP4CA1
SCHEMBL4309187 0.85 PARP1 (0.54) PARP1NR1H2NR1H3DPP4CA1
SCHEMBL27901916 0.83 DPP4 (0.47) DPP4CA1CA2CA4CA9
SCHEMBL874366 0.82 POLB (0.49) PARP1KMT2A

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 24 patents — showing the first 20. 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
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
EP-1871765-B1 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2009-12-09 EP disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
EP-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
CN-101146796-A 3-(indazol-5-yl)-(1,2,4)triazine derivatives and related compounds as protein kinase inhibitors for the treatment of cancer SCHERING CORP (US) 2008-03-19 CN disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
EP-1871765-A2 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-01-02 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
WO-2006081230-A2 3-(INDAZOL-5-YL)-(1,2, 4) TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2006-08-03 WO 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 PARP1 748/4885NR1H2 835/4885NR1H3 1194/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 PARP1 1492/4885NR1H2 744/4885NR1H3 1001/4885
US-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PARP1 1556/4885NR1H2 1656/4885NR1H3 1667/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B PARP1 915/4885NR1H2 1835/4885NR1H3 2197/4885

“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.