SCHEMBL47822

SCHEMBL47822

CC(Cl)CCOC(=O)OCCC(C)Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.38
CHRNA4 P43681 8/20 0.38
CHRNB4 P30926 6/20 0.38
CHRNA3 P32297 6/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL27515779 0.91 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL7547957 0.83
SCHEMBL47821 0.83
SCHEMBL7547952 0.81
SCHEMBL28679944 0.81 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL610682 0.79 CA1 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL609469 0.79 ALDH1A1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL17075163 0.79 CA1 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL587366 0.77 ALDH1A1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL29146889 0.76 ALDH1A1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024022262-A1 SALT OF ENDOTHELIN A (ETA) RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2024-02-01 WO disclosed
WO-2023208108-A1 COMPOUND FOR REDUCING URIC ACID 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
WO-2023208103-A1 COMPOUND CAPABLE OF BEING USED FOR GOUT 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
EP-3486242-B1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-08 EP disclosed
CN-113683614-A Fused tricyclic pyridazinone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2021-11-23 CN disclosed
CN-109863151-B Fused tricyclic pyridazinone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2021-09-10 CN disclosed
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-08-10 US disclosed
CN-112969687-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 CN disclosed
CN-112154145-A Piperazine azaspiro derivatives 辉瑞大药厂 2020-12-29 CN disclosed
US-20200199115-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2020-06-25 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 US disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
US-5587374-A BACTERICIDES TREATING INFECTIONS GLAXO SPA (IT) 1996-12-24 US disclosed
EP-0495953-B1 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0(3,8)]undec-2-ene-2-carboxylic acid esters and a process for preparing thereof GLAXO SPA (IT) 1994-06-08 EP disclosed
EP-0236231-B1 Novel cephem compounds MEIJI SEIKA KAISHA (JP) 1994-05-04 EP disclosed
EP-0495953-A1 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. GLAXO SPA (IT) 1992-07-29 EP disclosed
WO-1992003437-A1 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF GLAXO S.P.A. (IT) 1992-03-05 WO disclosed
US-4918068-A ACTIVE AGAINST GRAM POSITIVE BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 1990-04-17 US disclosed
EP-0236231-A2 Novel cephem compounds MEIJI SEIKA KAISHA LTD. (JP) 1987-09-09 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-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 CHRNB2 2665/4885CHRNA4 926/4885CHRNB4 2069/4885
US-20200199115-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF F11, F2, F7 CHRNB2 4709/4885CHRNA4 4205/4885CHRNB4 4613/4885
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof F11, F2, F7 CHRNB2 4733/4885CHRNA4 4287/4885CHRNB4 4688/4885

“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.