SCHEMBL4500368

SCHEMBL4500368

c1ccc2c(c1)CNOC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
PNMT P11086 2/20 0.39
CD44 P16070 1/20 0.39
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OXTR P30559 1/20 0.35
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.33
HTR2C P28335 1/20 0.33
PRCP P42785 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
SCHEMBL4493462 0.76 PNMT (0.46) MAOBPNMTCD44ALOX15HSD17B10
SCHEMBL4505442 0.76 HTR2C (0.52) MAOBPNMTCD44GAAMAOA
Hydrochloric Acid SCHEMBL11863712 0.75 HTR2C (0.50) MAOBPNMTCD44GAANPSR1
Hydrochloric Acid SCHEMBL11691031 0.75 PNMT (0.45) MAOBPNMTCD44ALOX15HSD17B10
SCHEMBL16661726 0.72 TIPARP (0.36) ALOX15HSD17B10
SCHEMBL16365948 0.72 TIPARP (0.33)
SCHEMBL13975659 0.72 CHRNB2 (0.42)
SCHEMBL3663958 0.70 PNMT (0.50) MAOBPNMTCD44ALOX15HSD17B10
SCHEMBL28034015 0.69 ALOX15 (0.45) MAOBPNMTCD44ALOX15HSD17B10
SCHEMBL4512915 0.67 RYR2 (0.48) OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028739-A2 COMPOSITION FOR PREVENTING OR TREATING HYPERLIPIDEMIA OR HYPERGLYCEMIA COMPRISING A POLYMER OR ITS SALT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO claimed
US-12509417-B2 Enantioselective process SYNGENTA CROP PROTECTION AG (CH) 2025-12-30 US disclosed
CN-118453896-A Antibody-drug conjugates, pharmaceutical compositions and therapeutic uses 上海偌妥生物科技有限公司 2024-08-09 CN disclosed
CN-113195460-B Enantioselective process 先正达农作物保护股份公司 2024-07-19 CN disclosed
EP-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed
US-20220106263-A1 ENANTIOSELECTIVE PROCESS SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3877372-A1 ENANTIOSELECTIVE PROCESS Syngenta Crop Protection AG (CH) 2021-09-15 EP disclosed
CN-113195460-A Enantioselective process 先正达农作物保护股份公司 2021-07-30 CN disclosed
CN-109562944-A hard mask composition 亚历克斯·菲利普·格雷厄姆·罗宾逊 2019-04-02 CN disclosed
EP-2980136-B1 PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND RESIN COMPOSITION CONTAINING PARTICLES JXTG NIPPON OIL & ENERGY CORP (JP) 2018-01-31 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
WO-2003028739-A2 COMPOSITION FOR PREVENTING OR TREATING HYPERLIPIDEMIA OR HYPERGLYCEMIA COMPRISING A POLYMER OR ITS SALT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
WO-2002032974-A2 POLYMER AND ITS USE FOR THE TREATMENT AND/OR PREVENTION OF HYPERPHOSPHOREMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-25 WO disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0273399-B1 Optically active 2,3-dihydrobenzoaxine derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1994-08-17 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed
EP-0273399-A1 Optically active 2,3-dihydrobenzoaxine derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-07-06 EP 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 (3 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-12509417-B2 Enantioselective process HCCS, AOC3, CYP8B1 MAOB 278/4885PNMT 68/4885CD44 4212/4885
US-20220106263-A1 ENANTIOSELECTIVE PROCESS CYP11B2, CYP2E1, CYP2F1 MAOB 130/4885PNMT 304/4885CD44 3533/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MAOB 259/4885PNMT 153/4885CD44 4662/4885

“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.