SCHEMBL5873472

SCHEMBL5873472

COc1ccccc1CC(C)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL14520623 1.00 IDO1 (0.50) IDO1GABRA1GABRB2TAAR1HPGD
Isopropylamine SCHEMBL27806417 0.94 IDO1 (0.50) IDO1GABRA1GABRB2TAAR1HPGD
SCHEMBL28334930 0.86 IDO1 (0.52) IDO1TAAR1HPGDHTTCHRM2
SCHEMBL9480536 0.86 IDO1 (0.52) IDO1TAAR1HPGDHTTCHRM2
SCHEMBL8986617 0.86 SLC6A4 (0.44) LMNAALDH1A1
SCHEMBL878976 0.83 IDO1 (0.53) IDO1GABRA1GABRB2TAAR1HPGD
SCHEMBL28554357 0.83 ALDH1A1 (0.49) HPGDHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL24129506 0.82 IDO1 (0.52) IDO1TAAR1HPGDHTTCHRM2
SCHEMBL22623555 0.82 IDO1 (0.53) IDO1TAAR1HPGDHTTCHRM2
SCHEMBL6206376 0.82 IDO1 (0.48) IDO1TAAR1HPGDHTTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101759576-A Synthesis method of (R)-moprolol ZHEJIANG MEDICINE CO LTD 2010-06-30 CN claimed
CN-101759577-A Synthesis method of (R)-moprolol ZHEJIANG MEDICINE CO LTD 2010-06-30 CN claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
CN-105377224-B Dyeing composition 莱雅公司 2021-02-12 CN disclosed
WO-2020230132-A1 COMPOSITIONS FOR CROP PROTECTION AGREMATCH LTD. (IL) 2020-11-19 WO disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
WO-2015051043-A1 BIARYL ACYL-SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2015-04-09 WO disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US disclosed
EP-0976734-B1 Selective inhibitors of viral or bacterial neuraminidase GILEAD SCIENCES INC (US) 2005-09-28 EP disclosed
US-20050176758-A1 2-(hydroxy or methoxymethoxy)-4-(carboxy or alkoxycarbonyl)-5-(fluoro or hydrogen)-7-oxabicyclo(4.1.0)hept-3-ene chemical intermediates to neuraminidase inhibitors GILEAD SCIENCES, INC. 2005-08-11 US disclosed
US-6225341-B1 FOR INHIBITING NEURAMINIDASE; FOR THERAPY AND PROPHYLAXIS OF VIRUS INFECTION GILEAD SCIENCES, INC. 2001-05-01 US disclosed
EP-0759917-B1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES INC (US) 2000-04-12 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-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A IDO1 2526/4885GABRA1 363/4885GABRB2 450/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 IDO1 2046/4885GABRA1 1082/4885GABRB2 1376/4885
US-20050176758-A1 2-(hydroxy or methoxymethoxy)-4-(carboxy or alkoxycarbonyl)-5-(fluoro or hydrogen)-7-oxabicyclo(4.1.0)hept-3-ene chemical intermediates to neuraminidase inhibitors NEU3, NEU1, NEU4 IDO1 496/4885GABRA1 2560/4885GABRB2 3545/4885

“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.