SCHEMBL5622980

SCHEMBL5622980

CCC([O])c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.50
KCNH2 Q12809 3/20 0.50
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.48
CYP2D6 P10635 2/20 0.47
KCNE1 P15382 2/20 0.47
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 3/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL12488384 0.84 KCNA5 (0.51) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL506747 0.79 KCNA5 (0.50) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL7306903 0.79 SLC6A3 (0.45) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL29520435 0.78 TSHR (0.62) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL65284 0.78 TSHR (0.62) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL3910230 0.78 TSHR (0.62) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL6000902 0.78 KCNA5 (0.46) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL6196919 0.77 ALDH1A1 (0.51) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL9185638 0.77 SLC6A3 (0.56) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL506917 0.77 KCNA5 (0.52) KCNA5KCNH2CYP1A2ALDH1A1TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109338425-B Zinc-nickel and nickel-tungsten electroplating solution and preparation method and electroplating method thereof 胜利油田胜机石油装备有限公司 2020-01-10 CN claimed
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
CN-116323558-A Compounds and methods for treating diseases 艾特里提治疗有限公司 2023-06-23 CN disclosed
CN-115928162-A Alloy electroplating solution for overhead transmission line tower and electroplating method thereof 国网辽宁省电力有限公司锦州供电公司 2023-04-07 CN disclosed
CN-115928162-A Alloy electroplating solution for overhead transmission line tower and electroplating method thereof 国网辽宁省电力有限公司锦州供电公司 2023-04-07 CN disclosed
CN-114787150-A Alkynyl quinazoline compounds 黑钻治疗公司 2022-07-22 CN disclosed
CN-109338425-B Zinc-nickel and nickel-tungsten electroplating solution and preparation method and electroplating method thereof 胜利油田胜机石油装备有限公司 2020-01-10 CN disclosed
US-8653269-B2 Process for preparation of t-butoxycarbonylamine compounds NIPPON SODA CO., LTD. (JP) 2014-02-18 US disclosed
EP-2546235-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS Nippon Soda Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS NIPPON SODA CO., LTD. (JP) 2013-01-03 US disclosed
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US disclosed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP disclosed
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed
US-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 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 (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-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS BPGM, TST, BET1 KCNA5 2820/4885KCNH2 1116/4885CYP1A2 3292/4885
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 KCNA5 3335/4885KCNH2 3354/4885CYP1A2 4217/4885

“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.