SCHEMBL3535108

SCHEMBL3535108

Cn1c(C2CC2)c(Br)c(=O)n1-c1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
DRD3 P35462 5/20 0.40
PTPN11 Q06124 4/20 0.38
NOTUM Q6P988 2/20 0.37
BCL2A1 Q16548 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRB1 P08588 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL3532712 0.89 HSD11B1 (0.46) NOTUMBCL2A1HSD11B1ALDH1A1
SCHEMBL3530031 0.85 PTPN11 (0.43) DRD2DRD3PTPN11NOTUMBCL2A1
SCHEMBL3532434 0.81 SMN1; SMN2 (0.37) ALDH1A1ADRB1
SCHEMBL3531511 0.81 MAPT (0.40) HSD11B1ALDH1A1
SCHEMBL3533226 0.80 ALDH1A1 (0.40) DRD2ALDH1A1SLC6A4HTR2A
SCHEMBL3532708 0.80 HSD11B1 (0.39) HSD11B1CYP3A4
SCHEMBL3533424 0.80 LMNA (0.38) DRD2DRD3HSD11B1HTR1AHTR2A
SCHEMBL3535479 0.78 BCHE (0.39) DRD2DRD3HSD11B1ALDH1A1
SCHEMBL3530637 0.78 HSD11B1 (0.48) NOTUMHSD11B1ALDH1A1HTR1A
SCHEMBL3525886 0.76 DRD2 (0.41) DRD2HSD11B1ALDH1A1HTR2AHTR6

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-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 DRD2 2741/4885DRD3 1873/4885PTPN11 1458/4885

“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.