SCHEMBL4532111

SCHEMBL4532111

O=C(O)CC1CNC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGB2 P05107 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA2B P08514 1/20 0.50
ITGB5 P18084 1/20 0.50
ITGAL P20701 1/20 0.50
SLC6A12 P48065 5/20 0.44
SLC6A11 P48066 5/20 0.44
SLC6A13 Q9NSD5 4/20 0.44
SLC6A1 P30531 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRA1 P14867 2/20 0.44
GABRR1 P24046 2/20 0.44
GABRA4 P48169 2/20 0.44
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2723878 1.00 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL14004149 0.82 SYK (0.35) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL10681240 0.82 ITGB3 (0.35) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL14031510 0.82 IRAK4 (0.37) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL6603075 0.80 SLC6A1 (0.50) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL630436 0.78 ITGB1 (0.54) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL523230 0.77 BRD4 (0.50) HTTSYKPDCD1LG2CD274
SCHEMBL576497 0.76 PDE4A (0.38) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL6001939 0.76 PDE4A (0.38) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL24630408 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109045-A Preparation method of bio-based heterocyclic monomer and homopolyester thereof 大连大学 2022-09-27 CN claimed
CN-117384367-A Rapidly water-degradable PBAT copolyester prepared from diester monomer containing three-membered rings and preparation method thereof 康辉新材料科技有限公司 2024-01-12 CN disclosed
CN-117384367-A Rapidly water-degradable PBAT copolyester prepared from diester monomer containing three-membered rings and preparation method thereof 康辉新材料科技有限公司 2024-01-12 CN disclosed
CN-117327264-A Bio-based monomer containing pyrrolidone ring, polyester and preparation method thereof 江苏康辉新材料科技有限公司 2024-01-02 CN disclosed
CN-117285702-A PBAT copolyester with adjustable degradation rate in water and preparation method thereof 康辉新材料科技有限公司 2023-12-26 CN disclosed
CN-117164833-A PBS copolyester capable of being rapidly degraded in water prepared from diester monomer containing three-membered ring and preparation method thereof 江苏康辉新材料科技有限公司 2023-12-05 CN disclosed
CN-117164836-A PET copolyester capable of being rapidly degraded in water prepared from rigid monomer and preparation method 江苏康辉新材料科技有限公司 2023-12-05 CN disclosed
CN-117164837-A Ternary ring-containing monomer preparation method for rapidly-degradable PBT copolyester in water 江苏康辉新材料科技有限公司 2023-12-05 CN disclosed
CN-117164837-A Ternary ring-containing monomer preparation method for rapidly-degradable PBT copolyester in water 江苏康辉新材料科技有限公司 2023-12-05 CN disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1998027085-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed
EP-0044088-B1 P-METHOXY-BENZOYL DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 EP disclosed
EP-0044088-A2 p-Methoxy-benzoyl derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-01-20 EP disclosed
EP-0005143-A1 1-Benzoyl-2-pyrrolidinone derivative, processes for its preparation and medicaments containing it F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 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 (1 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-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 ITGB1 4047/4885ITGA5 4402/4885ITGB3 4478/4885

“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.