SCHEMBL3534159

SCHEMBL3534159

O=C1CC(C2CC2)=NN1c1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
P2RX7 Q99572 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
OPRL1 P41146 2/20 0.32
OPRM1 P35372 1/20 0.32
MEN1 O00255 3/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL3531063 0.89 CNR2 (0.38) PDCD1CD274P2RX7ALDH1A1ADRA1B
SCHEMBL3531736 0.79 KMT2A (0.44) MAOBALDH1A1KMT2AMAPTGAA
SCHEMBL3535982 0.77 KMT2A (0.47) L3MBTL1MAOBALDH1A1KMT2AMAPT
SCHEMBL3528352 0.75 PDCD1 (0.45) PDCD1CD274L3MBTL1ALDH1A1HTR1A
SCHEMBL3537137 0.72 HCAR1 (0.41) PDCD1CD274ALDH1A1ADRA1DADRA1A
SCHEMBL3532077 0.71 KMT2A (0.64) L3MBTL1MAOBALDH1A1KMT2AMAPT
SCHEMBL3532127 0.71 MAPT (0.45) PDCD1CD274L3MBTL1ALDH1A1KMT2A
SCHEMBL3529246 0.70 ALDH1A1 (0.40) L3MBTL1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL3534430 0.70 GAA (0.43) HTR7PDCD1CD274ALDH1A1ADRA1D
SCHEMBL3531484 0.70 HCAR1 (0.47) P2RX7

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 HTR7 1546/4885PDCD1 2388/4885CD274 4108/4885

“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.