SCHEMBL3534371

SCHEMBL3534371

CC1(C2=NN(c3ccccc3C(F)(F)F)C(=O)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.38
HSD11B1 P28845 1/20 0.38
TDP1 Q9NUW8 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTR1A P08908 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCAR1 Q9BXC0 2/20 0.35
NOTUM Q6P988 1/20 0.35
CDC25B P30305 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1133533 0.79 MAPT (0.55) ALDH1A1HTTCYP3A4TDP1L3MBTL1
SCHEMBL3531659 0.77 CYP3A4 (0.42) ALDH1A1HTTCYP3A4HSD11B1TDP1
SCHEMBL3535015 0.77 LOX (0.60) ALDH1A1HTTCYP3A4HSD11B1TDP1
SCHEMBL3529246 0.73 ALDH1A1 (0.40) ALDH1A1HTTCYP3A4HSD11B1TDP1
SCHEMBL3527020 0.73 ALDH1A1 (0.38) ALDH1A1HTTCYP3A4TDP1L3MBTL1
SCHEMBL3529095 0.73 ALDH1A1 (0.38) ALDH1A1HTTCYP3A4HSD11B1TDP1
SCHEMBL7112408 0.72 MAPT (0.47) ALDH1A1HTTCYP3A4TDP1L3MBTL1
SCHEMBL5055318 0.72 L3MBTL1 (0.40) ALDH1A1HTTCYP3A4HSD11B1TDP1
SCHEMBL3527050 0.71 L3MBTL1 (0.39) ALDH1A1HTTCYP3A4HSD11B1TDP1
SCHEMBL27712036 0.71 ALDH1A1 (0.37) ALDH1A1HTTCYP3A4HSD11B1TDP1

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 105/4885HTT 4405/4885CYP3A4 45/4885

“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.