SCHEMBL3531667

SCHEMBL3531667

CCn1c(COc2ccc(F)cc2)c(C2CC2)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
MCHR1 Q99705 2/20 0.35
GRM5 P41594 1/20 0.35
GRM3 Q14832 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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 0.86 MCHR1 (0.38) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL3531866 0.83 HSD11B1 (0.40) HSD11B1
SCHEMBL3528656 0.81 HSD11B1 (0.41) HSD11B1ALDH1A1NPC1RAB9AMEN1
SCHEMBL3530868 0.79 HSD11B1 (0.43) HSD11B1ALDH1A1
SCHEMBL3528744 0.79 HSD11B1 (0.43) HSD11B1MEN1KMT2A
SCHEMBL3529685 0.76 HTR1A (0.41) ALDH1A1NPC1RAB9AKCNH2MEN1
SCHEMBL3531357 0.74 NOX4 (0.43) HSD11B1ALDH1A1NPC1RAB9AKCNH2
SCHEMBL3529353 0.71 HSD11B1 (0.38) HSD11B1ALDH1A1NPC1RAB9A
SCHEMBL3528063 0.70 HSD11B1 (0.38) HSD11B1MEN1KMT2A
SCHEMBL3532268 0.68 CCR3 (0.41) HSD11B1ALDH1A1MCHR1HRH3MEN1

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 6 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 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
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US 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 HSD11B1 1/4885ALDH1A1 105/4885KDM4E 2143/4885

“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.