SCHEMBL29382023

SCHEMBL29382023

O=[N+]([O-])c1ccc2c(c1)CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 1.00
ADRA2A P08913 7/20 1.00
ADRA2B P18089 4/20 0.53
ADRA2C P18825 4/20 0.53

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
SCHEMBL324460 1.00 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL27698594 0.98 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29651180 0.98 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL325622 0.98 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
SCHEMBL1269277 0.93 PNMT (0.87) PNMTADRA2AADRA2BADRA2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL5485986 0.92 PNMT (0.85) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL10004303 0.92 PNMT (0.84) PNMTADRA2AADRA2BADRA2C
SCHEMBL1074232 0.90 PNMT (0.82) PNMTADRA2AADRA2BADRA2C
SCHEMBL717840 0.89 PNMT (0.81) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1947220 0.88 PNMT (0.78) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111621805-B Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2022-02-18 CN claimed
CN-117886824-B 2, 3-Dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof 四川大学华西医院 2026-05-15 CN disclosed
CN-119707835-A 2-Aminopyrimidine-5-carboxamide compounds and use thereof for the production of medicaments for the treatment and/or prophylaxis of cancer 沈阳药科大学 2025-03-28 CN disclosed
CN-115872985-B 1,2,3, 4-Tetrahydroisoquinoline-thiophene derivative and preparation method thereof 赣江中药创新中心 2025-01-14 CN disclosed
CN-119241559-A Quinazoline macrocyclic compound serving as HPK1 kinase inhibitor and preparation method and application thereof 深圳市新樾生物科技有限公司 2025-01-03 CN disclosed
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US disclosed
CN-118619800-A Amino dithioformate compound and preparation method thereof 抚州三和医药化工有限公司 2024-09-10 CN disclosed
CN-118451069-A Heterocyclic compounds 正大天晴药业集团股份有限公司 2024-08-06 CN disclosed
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 WO disclosed
CN-117886824-A 2, 3-dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof 四川大学华西医院 2024-04-16 CN disclosed
CN-116867787-A Pyrazolo [3,4-d ] pyrimidin-3-one derivatives 微境生物医药科技(上海)有限公司 2023-10-10 CN disclosed
CN-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 CN disclosed
CN-113150009-B Heterocyclic compound with activity of inhibiting programmed cell necrosis pathway and application thereof 爱科诺生物医药(香港)有限公司 2023-05-23 CN disclosed
CN-115872985-A 1,2,3, 4-tetrahydroisoquinoline-thiophene derivative and preparation method thereof 赣江中药创新中心 2023-03-31 CN disclosed
CN-115515579-A Pyrrolo [2,3-b ] pyridine-3-carboxamide compositions and methods for ameliorating hearing loss 洛克菲勒大学 2022-12-23 CN disclosed
EP-4085059-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME Accro Bioscience (HK) Limited (HK) 2022-11-09 EP disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
WO-2022147210-A1 ANTI-TUMOR COMPOSITIONS AND METHODS EVRYS BIO, LLC (US) 2022-07-07 WO disclosed
CN-111621805-B Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2022-02-18 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 (1 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-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS PMS2, MSH2, RECQL PNMT 1175/4885ADRA2A 968/4885ADRA2B 1099/4885

“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.