SCHEMBL873810

SCHEMBL873810

CC(C)(C)OC(=O)N1CCNCC1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
DPP4 P27487 4/20 0.51
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
CCR3 P51677 1/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
TACR1 P25103 3/20 0.39
REN P00797 1/20 0.39

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
SCHEMBL874327 0.89 PARP1 (0.56) PARP1DPP4DPP7NR1H2NR1H3
SCHEMBL15205855 0.89 PARP1 (0.56) PARP1DPP4MC4RMC5RDPP7
SCHEMBL5365387 0.89 PARP1 (0.53) PARP1DPP4MC4RMC5RDPP7
SCHEMBL5796411 0.89 PARP1 (0.48) PARP1DPP4MC4RMC5RDPP7
SCHEMBL27933734 0.88 PARP1 (0.55) PARP1DPP4MC4RMC5RDPP7
SCHEMBL5359873 0.88 PARP1 (0.55) PARP1DPP4NR1H2NR1H3CA1
SCHEMBL4309187 0.88 PARP1 (0.54) PARP1DPP4DPP7NR1H2NR1H3
SCHEMBL873458 0.88 PARP1 (0.54) PARP1DPP4DPP7NR1H2NR1H3
SCHEMBL873429 0.88 PARP1 (0.54) PARP1DPP4DPP7NR1H2NR1H3
SCHEMBL8238773 0.87 PARP1 (0.54) PARP1DPP4DPP7NR1H2NR1H3

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
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-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP 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
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-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US 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
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US 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
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (7 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 748/4885DPP4 125/4885MC4R 512/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 PARP1 985/4885DPP4 1/4885MC4R 306/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 PARP1 847/4885DPP4 1/4885MC4R 497/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 PARP1 847/4885DPP4 1/4885MC4R 497/4885
US-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PARP1 1556/4885DPP4 1274/4885MC4R 1651/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 PARP1 1602/4885DPP4 1/4885MC4R 180/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PARP1 748/4885DPP4 125/4885MC4R 512/4885

“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.