SCHEMBL7327969

SCHEMBL7327969

NCCNCC(O)COc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
OPRM1 P35372 1/20 0.68
OPRD1 P41143 1/20 0.68
KMT2A Q03164 1/20 0.68
ADRB1 P08588 7/20 0.60
ADRB3 P13945 7/20 0.60
ADRB2 P07550 3/20 0.60
CYP1A2 P05177 1/20 0.60
LMNA P02545 1/20 0.60
CYP2D6 P10635 2/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL11129368 0.97 MEN1 (0.65) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL18506359 0.92 ADRB3 (0.60) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL9014015 0.91 MEN1 (0.62) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL23612629 0.90 MEN1 (0.60) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL18506356 0.89 KDM4E (0.56) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL17038025 0.89 MEN1 (0.57) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL17038026 0.89 MEN1 (0.57) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL14507484 0.87 MEN1 (0.63) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL11606524 0.86 MEN1 (0.71) MEN1OPRM1OPRD1KMT2AADRB1
SCHEMBL20553331 0.86 MEN1 (0.67) MEN1OPRM1OPRD1KMT2AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
US-5051431-A For treatment of congestive heart failure GLAXO INC. (US) 1991-09-24 US disclosed
EP-0419286-A2 Pyridone nitriles useful in treating cardiovascular disease GLAXO WELLCOME INC. (US) 1991-03-27 EP disclosed
US-4711887-A HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-08 US disclosed
EP-0194751-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed
EP-0194752-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed
EP-0194750-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed
US-4419363-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-06 US disclosed
US-4346111-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-24 US disclosed
EP-0054946-A1 Basic substituted pyridazines, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4318921-A HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-09 US disclosed
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed
US-4219561-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTIARRHYTHMIA, ANGINA PECTORIS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-26 US disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
US-4211878-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 US 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 MEN1 3248/4885OPRM1 81/4885OPRD1 157/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 MEN1 3248/4885OPRM1 81/4885OPRD1 157/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A MEN1 3011/4885OPRM1 40/4885OPRD1 110/4885

“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.