SCHEMBL333243

SCHEMBL333243

O=C(O)CCc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
CYP1A2 P05177 3/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 1/20 0.56
FFAR1 O14842 2/20 0.54
HRH1 P35367 1/20 0.53
PTPRA P18433 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
KEAP1 Q14145 1/20 0.52
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL29499090 1.00 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
Hydrochloric Acid SCHEMBL28672925 0.98 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
Hydrochloric Acid SCHEMBL4174816 0.98 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
Ethylene Glycol SCHEMBL11535314 0.94 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
Ethylene Glycol SCHEMBL11532139 0.94 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
Sulfuric Acid SCHEMBL933256 0.93 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
1,4-Butanediol SCHEMBL11531292 0.91 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C19ALDH1A1FFAR1
SCHEMBL6687222 0.89 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HRH1
SCHEMBL3673389 0.89 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HRH1
SCHEMBL2302450 0.87 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12304894-B2 Derivatives of adamantyl oxadiazoles and pharmaceutically acceptable solvates, hydrates and salts thereof, pharmaceutical composition comprising same, synthesis method, suitable for use as effective and selective inhibitors of the reductase activity of the enzyme 11-beta dehydrogenase type 1 (11β-HSD1) PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE (CL) 2025-05-20 US claimed
US-20220194909-A1 DERIVATIVES OF ADAMANTYL OXADIAZOLES AND PHARMACEUTICALLY ACCEPTABLE SOLVATES, HYDRATES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, SYNTHESIS METHOD, SUITABLE FOR USE AS EFFECTIVE AND SELECTIVE INHIBITORS OF THE REDUCTASE ACTIVITY OF THE ENZYME 11-BETA DEHYDROGENASE TYPE 1 (11B-HSD1) PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE (CL) 2022-06-23 US claimed
US-20220142960-A1 Compositions and Methods for Treating Metabolic Disorders VEROSCIENCE LLC 2022-05-12 US claimed
CN-114369060-A Novel indoleamine 2, 3-dioxygenase inhibitor and application thereof in preparing antitumor drugs 杭州星鳌生物科技有限公司 2022-04-19 CN claimed
CN-106117076-B A kind of novel toluylene derivative and preparation method thereof 北京理工大学 2018-11-06 CN claimed
CN-106117076-A A kind of novel toluylene derivant and preparation method thereof 北京理工大学 2016-11-16 CN claimed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO claimed
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO claimed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO claimed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
EP-0159640-A1 4-Methoxy-2,2'-bipyridyl-6-aldoximes, process and intermediates for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-30 EP claimed
US-4153795-A Cobalt pyridyl catalysts for hydroformylation DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-05-08 US claimed
JP-53012870-A None JP disclosed
JP-62070360-A None JP disclosed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 EP disclosed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 EP disclosed
US-4305945-A Isoureas and isothioureas SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-15 US disclosed
US-4153795-A Cobalt pyridyl catalysts for hydroformylation DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-05-08 US disclosed
JP-S5312870-A 3-PYRIDYL-PROPIONIC ACID ALKYLESTERS AGENCY OF IND SCIENCE & TECHNOL 1978-02-04 JP 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-20220194909-A1 DERIVATIVES OF ADAMANTYL OXADIAZOLES AND PHARMACEUTICALLY ACCEPTABLE SOLVATES, HYDRATES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, SYNTHESIS METHOD, SUITABLE FOR USE AS EFFECTIVE AND SELECTIVE INHIBITORS OF THE REDUCTASE ACTIVITY OF THE ENZYME 11-BETA DEHYDROGENASE TYPE 1 (11B-HSD1) HSD11B1, HSD11B2, CYP11B1 SMN1; SMN2 1950/4885CYP1A2 84/4885CYP2C19 98/4885
US-12304894-B2 Derivatives of adamantyl oxadiazoles and pharmaceutically acceptable solvates, hydrates and salts thereof, pharmaceutical composition comprising same, synthesis method, suitable for use as effective and selective inhibitors of the reductase activity of the enzyme 11-beta dehydrogenase type 1 (11β-HSD1) HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 2050/4885CYP1A2 91/4885CYP2C19 118/4885

“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.