SCHEMBL3531092

SCHEMBL3531092

O=c1cc(C2CC2)n(Cc2ccccc2F)n1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TACR1 P25103 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 1/20 0.35
MCHR1 Q99705 1/20 0.35
PIM1 P11309 1/20 0.35
TSHR P16473 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 0.87 HSD11B1 (0.53) HSD11B1CYP3A4HTR2AHTR2CKMT2A
SCHEMBL3529672 0.84 HSD11B1 (0.45) HSD11B1CYP3A4HTR2AKMT2AALDH1A1
SCHEMBL3530514 0.83 P2RX7 (0.40) HTR2AHTR2CALDH1A1KDM4EP2RX7
SCHEMBL3535175 0.82 KDM4E (0.42) HSD11B1CYP3A4KMT2AMEN1ALDH1A1
SCHEMBL3533983 0.81 HSD11B1 (0.36) HSD11B1CYP3A4HTR2AHTR2CALDH1A1
SCHEMBL3531741 0.81 HSD11B1 (0.48) HSD11B1CYP3A4HTR2AHTR2CKMT2A
SCHEMBL3530690 0.81 HSD11B1 (0.43) HSD11B1CYP3A4HTR2AHTR2CKMT2A
SCHEMBL3526622 0.79 HSD11B1 (0.36) HSD11B1CYP3A4HTR2AHTR2CCYP2D6
SCHEMBL3531778 0.77 HSD11B1 (0.44) HSD11B1CYP3A4HTR2AHTR2CCYP2C9
SCHEMBL3535358 0.76 HSD11B1 (0.38) HSD11B1CYP3A4L3MBTL1ALDH1A1CYP2D6

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.