SCHEMBL5848784

SCHEMBL5848784

OC(CNC1CC1)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.54
KDM4E B2RXH2 1/20 0.51
BCHE P06276 1/20 0.47
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRB3 P13945 1/20 0.42

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
SCHEMBL5848811 0.81 ADRB2 (0.54) ADRB2KDM4EBCHE
SCHEMBL5848565 0.81 ADRB2 (0.57) ADRB2KDM4EADRB3
Hydrochloric Acid SCHEMBL29375517 0.81 ADRB2 (0.54) ADRB2KDM4EBCHEADRB3
SCHEMBL5849674 0.80 ADRB2 (0.55) ADRB2KDM4EBCHESLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL14126826 0.78 KDM4E (0.71) ADRB2KDM4E
SCHEMBL10193677 0.77 SLC6A3 (0.46) ADRB2KDM4ESLC18A3SIGMAR1ADRB3
SCHEMBL4049003 0.77 SLC6A3 (0.67) ADRB2KDM4EADRB3
SCHEMBL31332695 0.76 OPRL1 (0.53) KDM4EBCHE
SCHEMBL31270102 0.74 KDM4E (0.66) ADRB2KDM4E
SCHEMBL8765874 0.74 ADRB3 (0.65) ADRB3

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 768/4885KDM4E 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.