SCHEMBL431986

SCHEMBL431986

Brc1ccccc1C=CCOCC=Cc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
LY96 Q9Y6Y9 1/20 0.40
BCHE P06276 1/20 0.38
CHRNA7 P36544 1/20 0.37
IDO1 P14902 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
IKBKB O14920 1/20 0.34
DYRK2 Q92630 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR3 P22607 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL5704312 1.00 HSD11B1 (0.47) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL2096780 0.89 HSD11B1 (0.42) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL2096779 0.89 HSD11B1 (0.42) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL18260247 0.84 LY96 (0.45) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL18260248 0.84 LY96 (0.45) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL5546732 0.80 HSD11B1 (0.44) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL5546727 0.80 HSD11B1 (0.44) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL7292262 0.78 HSD11B1 (0.50) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL31072038 0.78 HSD11B1 (0.50) HSD11B1LY96BCHECHRNA7IDO1
SCHEMBL7292269 0.78 HSD11B1 (0.50) HSD11B1LY96BCHECHRNA7IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE HSD11B1 499/4885LY96 3754/4885BCHE 2297/4885

“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.