SCHEMBL873960

SCHEMBL873960

CC(C)CC1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
TACR1 P25103 3/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL2295821 1.00 PARP1 (0.51) PARP1TACR1CYP2D6SLC6A2SLC6A4
SCHEMBL873440 1.00 PARP1 (0.51) PARP1TACR1CYP2D6SLC6A2SLC6A4
SCHEMBL23569456 0.89 PARP1 (0.49) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL21273838 0.88 PARP1 (0.50) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL27786601 0.87 PARP1 (0.47) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL24543368 0.86 PARP1 (0.53) PARP1NR1H2NR1H3
SCHEMBL30803666 0.86 PARP1 (0.53) PARP1NR1H2NR1H3
SCHEMBL1990452 0.84 PARP1 (0.54) PARP1KMT2ANR1H2
SCHEMBL1990451 0.84 PARP1 (0.54) PARP1KMT2ANR1H2
SCHEMBL336577 0.84 PARP1 (0.54) PARP1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727380-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC (US) 2025-09-24 EP disclosed
US-20240124443-A1 PLASMIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2024-04-18 US disclosed
EP-4289850-A1 PLASMIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-12-13 EP disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
CN-116848122-A Plasmin inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-10-03 CN disclosed
WO-2022166845-A1 PLASMIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 赛诺哈勃药业(成都)有限公司 2022-08-11 WO disclosed
US-11230547-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
US-20200392144-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 US disclosed
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
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
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP 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
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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 (8 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-20200392144-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA PARP1 480/4885TACR1 2329/4885CYP2D6 1857/4885
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PARP1 2400/4885TACR1 181/4885CYP2D6 1701/4885
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL PARP1 2809/4885TACR1 4794/4885CYP2D6 1746/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 PARP1 1492/4885TACR1 485/4885CYP2D6 1881/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE PARP1 1880/4885TACR1 4188/4885CYP2D6 2087/4885
US-20240124443-A1 PLASMIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF F2, PLG, PLAT PARP1 453/4885TACR1 632/4885CYP2D6 982/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 PARP1 1602/4885TACR1 1488/4885CYP2D6 43/4885
US-11230547-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA PARP1 480/4885TACR1 2329/4885CYP2D6 1857/4885

“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.