SCHEMBL5519734

SCHEMBL5519734

CC1(C)CCCC(C)(C)N1C=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9011499 0.74 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL21618364 0.74 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL10812173 0.72 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL9860220 0.69 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL11119942 0.69
SCHEMBL6492 0.67 TSHR (0.39) TSHRNFKB1CYP2C19
SCHEMBL5519012 0.67 GAA (0.33)
SCHEMBL4020427 0.67
SCHEMBL4551793 0.67
SCHEMBL8469829 0.67 TSHR (0.32) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3691639-B1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3423504-B1 PROCESS FOR MAKING URETHANE ACRYLATES DOW GLOBAL TECHNOLOGIES LLC (US) 2023-05-10 EP disclosed
CN-113527543-B Aqueous neutral piperidine nitrogen-oxygen free radical organic flow battery electrolyte, battery and preparation method 西安交通大学 2022-12-09 CN disclosed
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2022-09-06 US disclosed
US-11357856-B2 Lipids for delivery of active agents Acuitas Therapeutics, Inc. (CA) 2022-06-14 US disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
CN-113527543-A Aqueous neutral piperidine nitrogen-oxygen free radical organic flow battery electrolyte, battery and preparation method 西安交通大学 2021-10-22 CN disclosed
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-11-19 US disclosed
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-09-24 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
EP-0517103-B1 Piperidine derivatives, a process for the preparation thereof and the use thereof 3V SIGMA SPA (IT) 1995-03-01 EP disclosed
US-4070461-A ANTICHOLESTEROL MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-01-24 US disclosed
US-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 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 (8 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C TSHR 4757/4885NFKB1 1132/4885CYP2C19 1219/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C TSHR 4787/4885NFKB1 992/4885CYP2C19 501/4885
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, CMBL TSHR 4413/4885NFKB1 436/4885CYP2C19 83/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 TSHR 4506/4885NFKB1 1146/4885CYP2C19 329/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX TSHR 4082/4885NFKB1 593/4885CYP2C19 150/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX TSHR 4015/4885NFKB1 539/4885CYP2C19 154/4885
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, CMBL TSHR 4166/4885NFKB1 388/4885CYP2C19 82/4885
US-11357856-B2 Lipids for delivery of active agents SGMS1, PHOSPHO1, LRAT TSHR 1715/4885NFKB1 613/4885CYP2C19 4204/4885

“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.