SCHEMBL873224

SCHEMBL873224

CC(C)C1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
NR1H3 Q13133 7/20 0.41
NR1H2 P55055 6/20 0.41
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL63799 1.00 PARP1 (0.43) PARP1NR1H3NR1H2DPP4DPP7
SCHEMBL3618472 1.00 PARP1 (0.43) PARP1NR1H3NR1H2DPP4DPP7
Hydrochloric Acid SCHEMBL3618473 0.98 PARP1 (0.42) PARP1NR1H3NR1H2DPP4DPP7
Hydrochloric Acid SCHEMBL3618469 0.98 PARP1 (0.42) PARP1NR1H3NR1H2DPP4DPP7
SCHEMBL31435138 0.90 PARP1 (0.42) PARP1NR1H3NR1H2USP2SMN1; SMN2
SCHEMBL21284561 0.87 PARP1 (0.41) PARP1NR1H3NR1H2USP2SMN1; SMN2
SCHEMBL23579211 0.87 PARP1 (0.42) PARP1NR1H3NR1H2USP2SMN1; SMN2
SCHEMBL12845197 0.87 PARP1 (0.42) PARP1NR1H3NR1H2USP2SMN1; SMN2
SCHEMBL30050599 0.87 PARP1 (0.42) PARP1NR1H3NR1H2USP2SMN1; SMN2
SCHEMBL30801268 0.86 PARP1 (0.40) PARP1NR1H3NR1H2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
CN-115745960-B Compound containing quinolinone amide, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-08-30 CN disclosed
CN-117794525-A Anticancer compounds 加利福尼亚大学董事会 2024-03-29 CN disclosed
US-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-27 US disclosed
US-11633415-B2 Compounds and methods useful for treating or preventing cancers THE BROAD INSTITUTE, INC. (US) 2023-04-25 US disclosed
CN-115745960-A Quinolinone amide-containing compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-03-07 CN disclosed
US-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2022-03-31 US disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-10590139-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA INC. (US) 2020-03-17 US disclosed
CN-101638423-A Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES I CO LTD 2010-02-03 CN disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO disclosed
EP-1989188-A1 THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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 (9 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 PARP1 1492/4885NR1H3 1001/4885NR1H2 744/4885
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 PARP1 3608/4885NR1H3 21/4885NR1H2 14/4885
US-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS CSNK1A1, CSNK2A1, CSNK2A3 PARP1 179/4885NR1H3 1625/4885NR1H2 1681/4885
US-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, CLN6 PARP1 3545/4885NR1H3 545/4885NR1H2 426/4885
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PARP1 1738/4885NR1H3 4594/4885NR1H2 4529/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PARP1 1145/4885NR1H3 2510/4885NR1H2 2108/4885
US-10590139-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds COL2A1, COL1A1, IFNAR1 PARP1 3377/4885NR1H3 3279/4885NR1H2 2590/4885
US-11633415-B2 Compounds and methods useful for treating or preventing cancers CSNK1A1, CSNK2A1, CSNK2A3 PARP1 179/4885NR1H3 1625/4885NR1H2 1681/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A PARP1 1121/4885NR1H3 1964/4885NR1H2 1804/4885

“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.