SCHEMBL2799202

SCHEMBL2799202

CC(C)(C)OC(=O)C1CCN(CN)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL7503736 0.90 HRH3 (0.44) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL1052899 0.87 HRH3 (0.48) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL7749087 0.84 SMN1; SMN2 (0.55) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL7879735 0.84 HRH3 (0.51) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL31075110 0.83 HRH3 (0.48) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL25698055 0.83 HRH3 (0.50) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL22075873 0.82 HRH3 (0.39) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL46308 0.81 HRH3 (0.49) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL7454861 0.81 HRH3 (0.49) HRH3ALDH1A1MEN1KMT2ATSHR
SCHEMBL19931764 0.81 HRH3 (0.49) HRH3ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 CN claimed
CN-113968824-B 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-01-19 CN claimed
CN-113968824-A 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2022-01-25 CN claimed
WO-2025085819-A1 KINASE INHIBITOR COMPOSITIONS AND RELATED METHODS FOR THE TREATMENT OF A DISEASE WASHINGTON UNIVERSITY (US) 2025-04-24 WO disclosed
CN-119462522-A N2-3-Fluoro-5-substituted phenyl-2-aminopyrimidine derivative, preparation method and medical application thereof 浙江大学 2025-02-18 CN disclosed
US-20240366809-A1 INHIBITOR OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-11-07 US disclosed
CN-118666837-A GPX4 protein degradation agent, preparation method and application thereof 首都医科大学 2024-09-20 CN disclosed
CN-118388414-A Pyridazinone compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-07-26 CN disclosed
CN-118359600-A Aryl imidazolyl isoxazole compound as well as preparation method and application thereof 中国科学院广州生物医药与健康研究院 2024-07-19 CN disclosed
WO-2024149239-A1 HETEROAROMATIC CYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2024-07-18 WO disclosed
EP-4397322-A1 INHIBITOR OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND PHARMACEUTICAL USE THEREOF Tianjin Hengrui Medicine Co., Ltd. (CN) 2024-07-10 EP disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
CN-1178905-C Novel peptide derivative 2004-12-08 CN disclosed
CN-1099425-C Novel peptide derivatives ASTRAZENECA AB (SE) 2003-01-22 CN disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO disclosed
CN-1127509-A Novel peptide derivatives ASTRA AB (SE) 1996-07-24 CN 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 (2 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-20240366809-A1 INHIBITOR OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND PHARMACEUTICAL USE THEREOF KLK3, MAN2B2, ACP3 HRH3 2439/4885ALDH1A1 2180/4885MEN1 360/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK HRH3 1407/4885ALDH1A1 1899/4885MEN1 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.