SCHEMBL3530770

SCHEMBL3530770

Cn1c(C2CC2)cc(=O)n1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.39
HTR7 P34969 1/20 0.35
MCHR1 Q99705 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLAT P00750 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 2/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL3533567 0.84 FAAH (0.41) NAPRTHTR7MAPTMEN1KMT2A
SCHEMBL3528700 0.82 GRIA1 (0.35) HTR7
SCHEMBL3535358 0.81 HSD11B1 (0.38) ALDH1A1
SCHEMBL3533087 0.81 MCHR1 (0.33) HTR7MCHR1
SCHEMBL3533603 0.78 NAPRT (0.54) NAPRTHTR7GSK3AGSK3BLMNA
SCHEMBL3535467 0.77 MEN1 (0.41) NAPRTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3537047 0.76 HCAR1 (0.40)
SCHEMBL3529011 0.76 NAPRT (0.41) NAPRTMAPTMEN1KMT2ATSHR
SCHEMBL3531406 0.75 NAPRT (0.68) NAPRTGSK3AGSK3BHTTMEN1
SCHEMBL3533117 0.75 CYP17A1 (0.45) HTR7SMN1; SMN2MEN1KMT2AGAA

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 NAPRT 2057/4885HTR7 1546/4885MCHR1 2915/4885

“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.