SCHEMBL5848565

SCHEMBL5848565

OC(CNC1CC1)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.57
ADRB3 P13945 11/20 0.55
ADRB1 P08588 2/20 0.54
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL7056967 0.89 ADRB3 (0.50) ADRB2ADRB3ADRB1KDM4E
SCHEMBL7058826 0.83 ADRB3 (0.45) ADRB2ADRB3ADRB1
SCHEMBL7058823 0.83 ADRB3 (0.45) ADRB2ADRB3ADRB1
SCHEMBL7058117 0.82 ADRB3 (0.44) ADRB2ADRB3ADRB1
SCHEMBL7058116 0.82 ADRB3 (0.44) ADRB2ADRB3ADRB1
SCHEMBL5848784 0.81 ADRB2 (0.54) ADRB2ADRB3KDM4E
SCHEMBL5848811 0.81 ADRB2 (0.54) ADRB2KDM4E
Hydrochloric Acid SCHEMBL29375517 0.81 ADRB2 (0.54) ADRB2ADRB3ADRB1KDM4E
SCHEMBL5848437 0.80 ADRB2 (0.55) ADRB2ADRB3ADRB1KDM4E
SCHEMBL9006647 0.80 ADRB3 (0.70) ADRB3ADRB1

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 2 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

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 768/4885ADRB3 587/4885ADRB1 881/4885

“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.