SCHEMBL3529672

SCHEMBL3529672

O=c1cc(C2CC2)n(Cc2ccc(F)cc2)n1-c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR2A P28223 1/20 0.38
GRM2 Q14416 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
AKR1B1 P15121 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 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
SCHEMBL3531263 0.93 HSD11B1 (0.53) HSD11B1CYP3A4HTR2AADRA1DADRA1A
SCHEMBL3531092 0.84 HSD11B1 (0.41) HSD11B1CYP3A4HTR2AKMT2AALDH1A1
SCHEMBL3533983 0.84 HSD11B1 (0.36) HSD11B1CYP3A4HTR2AGRM2ADRA1D
SCHEMBL3531778 0.82 HSD11B1 (0.44) HSD11B1CYP3A4HTR2A
SCHEMBL3526622 0.81 HSD11B1 (0.36) HSD11B1CYP3A4HTR2AGRM2ADRA1D
SCHEMBL3535175 0.80 KDM4E (0.42) HSD11B1CYP3A4KMT2ALMNAALDH1A1
SCHEMBL3531732 0.79 HSD11B1 (0.53) HSD11B1CYP3A4HTR2AGRM2ADRA1D
SCHEMBL3535746 0.79 HSD11B1 (0.48) HSD11B1CYP3A4HTR2AGRM2ADRA1D
SCHEMBL3535358 0.79 HSD11B1 (0.38) HSD11B1CYP3A4GRM2ADRA1DADRA1A
SCHEMBL3530514 0.79 P2RX7 (0.40) HTR2AALDH1A1KCNH2

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 HSD11B1 1/4885CYP3A4 45/4885HTR2A 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.