SCHEMBL5848811

SCHEMBL5848811

OC(CNC1CC1)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.54
KDM4E B2RXH2 1/20 0.51
BCHE P06276 1/20 0.47
OPRL1 P41146 1/20 0.43
GRIN2B Q13224 1/20 0.41

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
SCHEMBL31269819 0.88 OPRL1 (0.49) ADRB2KDM4EBCHEOPRL1
SCHEMBL31270070 0.88 OPRL1 (0.49) ADRB2KDM4EBCHEOPRL1
SCHEMBL31270062 0.87 BCHE (0.44) ADRB2KDM4EBCHEOPRL1
Hydrochloric Acid SCHEMBL31270074 0.86 BCHE (0.46) ADRB2KDM4EBCHEOPRL1
SCHEMBL31270198 0.85 KDM4E (0.48) ADRB2KDM4EBCHEOPRL1
SCHEMBL31269992 0.82 ADRB3 (0.49) ADRB2KDM4EBCHEOPRL1
SCHEMBL5848784 0.81 ADRB2 (0.54) ADRB2KDM4EBCHE
SCHEMBL5848565 0.81 ADRB2 (0.57) ADRB2KDM4E
Hydrochloric Acid SCHEMBL29375517 0.81 ADRB2 (0.54) ADRB2KDM4EBCHE
SCHEMBL5850142 0.80 ADRB2 (0.55) ADRB2KDM4EBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed
US-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; 2004-02-12 US disclosed
CN-1134413-C Sulfonyl-containing pyrrolidone compound and preparation method and pharmaceutical application thereof 诺瓦提斯公司 2004-01-14 CN disclosed
CN-1318541-A Sulfonyl-containing pyrrolidone compound and preparation method and pharmaceutical application thereof INST OF PHARMACOLOGY CHINESE A (CN) 2001-10-24 CN 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-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof PTGS1, PTGS2, PTGER1 ADRB2 768/4885KDM4E 1122/4885BCHE 3391/4885

“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.