SCHEMBL3529685

SCHEMBL3529685

CC(=O)Nc1ccc(OCc2c(C3CC3)c(=O)n(-c3ccc(F)cc3)n2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA1D P25100 2/20 0.41
HTR2C P28335 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR6 P50406 2/20 0.41
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FPR2 P25090 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL3530750 0.89 MCHR1 (0.38) KCNH2ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3528656 0.84 HSD11B1 (0.41) HTR1ADRD2HTR2AHRH1KMT2A
SCHEMBL3531667 0.76 HSD11B1 (0.38) KCNH2KMT2AALDH1A1MEN1NPC1
SCHEMBL3531357 0.76 NOX4 (0.43) HTR1AKCNH2KMT2AALDH1A1MEN1
SCHEMBL3532268 0.71 CCR3 (0.41) HTR2AHTR2CHTR6KMT2AALDH1A1
SCHEMBL3530986 0.68 MEN1 (0.47) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL11842854 0.68 HTR1A (0.59) HTR1ADRD2HTR2AADRA2AADRA1D
SCHEMBL3531070 0.66 MEN1 (0.53) KMT2AALDH1A1MEN1LMNACYP2C9
SCHEMBL3529691 0.65 KMT2A (0.37) HTR1ADRD2HTR2AADRA2AADRA1D
SCHEMBL17033976 0.65 ALDH1A1 (0.77) KMT2AALDH1A1MEN1LMNACYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101243050-B Pyrazolone derivatives HOFFMANN LA ROCHE 2012-07-04 CN claimed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
CN-101243050-A Pyrazolone derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
CN-101243050-B Pyrazolone derivatives HOFFMANN LA ROCHE 2012-07-04 CN disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
CN-101243050-A Pyrazolone derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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 HTR1A 659/4885DRD2 2741/4885HTR2A 3118/4885

“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.