SCHEMBL3529328

SCHEMBL3529328

O=C1CC(C2CC2)=NN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
KDM4E B2RXH2 1/20 0.46
EHMT2 Q96KQ7 1/20 0.44
PDE4B Q07343 3/20 0.43
PDE3A Q14432 2/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 1/20 0.42
HTR1A P08908 1/20 0.42
ACHE P22303 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40

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
SCHEMBL3530839 0.76 GAA (0.57) ALDH1A1GAAKDM4ELMNATDP1
SCHEMBL964206 0.76 ALDH1A1 (1.00) ALDH1A1GAATHRBKDM4EEHMT2
SCHEMBL15057965 0.74 ALDH1A1 (0.64) ALDH1A1GAATHRBKDM4EEHMT2
SCHEMBL7402255 0.72 ALDH1A1 (0.60) ALDH1A1GAATHRBKDM4EEHMT2
SCHEMBL3531425 0.70 GAA (0.54) ALDH1A1GAAKDM4ELMNATDP1
SCHEMBL3529723 0.70 SHMT2 (0.43) ALDH1A1GAATHRBKDM4ELMNA
SCHEMBL1757580 0.69 KDM4E (0.56) ALDH1A1GAATHRBKDM4EPDE4B
SCHEMBL3537137 0.69 HCAR1 (0.41) ALDH1A1GAALMNAMAPTMEN1
SCHEMBL23409873 0.68 PDE4A (0.41) ALDH1A1GAATHRBKDM4EPDE4B
SCHEMBL27712027 0.67 ALDH1A1 (0.37) ALDH1A1GAATHRBTDP1BCHE

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 ALDH1A1 105/4885GAA 2764/4885THRB 751/4885

“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.