SCHEMBL3527587

SCHEMBL3527587

COc1ccccc1-n1c(=O)cc(C2CC2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
METAP2 P50579 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR1A P08908 2/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
OPRM1 P35372 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSPO P30536 1/20 0.38
NTSR1 P30989 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL3536266 0.84 HCAR1 (0.43)
SCHEMBL3532956 0.81 HSD11B1 (0.42) MGLLKMT2AMEN1ADRA1DADRA1A
SCHEMBL3535467 0.81 MEN1 (0.41) MGLLKMT2AMEN1ALDH1A1MAPT
SCHEMBL3533770 0.81 MAPT (0.41) MGLLKMT2AMEN1ALDH1A1POLB
SCHEMBL3537437 0.80 LMNA (0.40) MGLLDRD2DRD3KMT2AMEN1
SCHEMBL3529348 0.78 MAPT (0.42) DRD2KMT2AMEN1HTR1AALDH1A1
SCHEMBL3533292 0.77 HSD11B1 (0.46) KMT2AMEN1HTR1AALDH1A1KDM4E
SCHEMBL3535423 0.77 DRD2 (0.40) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL3527309 0.76 NPSR1 (0.36) KMT2AMEN1ALDH1A1POLBOPRM1
SCHEMBL3529498 0.76 DRD2 (0.42) DRD2DRD3

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 MGLL 2403/4885DRD2 2741/4885DRD3 1873/4885

“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.