SCHEMBL3531263

SCHEMBL3531263

O=c1cc(C2CC2)n(Cc2ccccc2)n1-c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.53
CYP3A4 P08684 1/20 0.53
GRM5 P41594 1/20 0.40
ACHE P22303 4/20 0.40
BACE1 P56817 4/20 0.40
BCHE P06276 3/20 0.40
PARK7 Q99497 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TRPA1 O75762 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL3529672 0.93 HSD11B1 (0.45) HSD11B1CYP3A4ALDH1A1KMT2AADRA1D
SCHEMBL3531778 0.90 HSD11B1 (0.44) HSD11B1CYP3A4ACHEBACE1BCHE
SCHEMBL3531092 0.87 HSD11B1 (0.41) HSD11B1CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL3535175 0.83 KDM4E (0.42) HSD11B1CYP3A4MEN1ALDH1A1GAA
SCHEMBL3533983 0.81 HSD11B1 (0.36) HSD11B1CYP3A4ALDH1A1ADRA1DADRA1A
SCHEMBL3531568 0.80 HSD11B1 (0.61) HSD11B1CYP3A4GRM5ACHEBACE1
SCHEMBL3535544 0.80 HSD11B1 (0.56) HSD11B1CYP3A4GRM5ACHEBACE1
SCHEMBL3526622 0.80 HSD11B1 (0.36) HSD11B1CYP3A4PARK7ADRA1DADRA1A
SCHEMBL3526700 0.78 KDM4E (0.39) HSD11B1CYP3A4SIGMAR1ALDH1A1ADRA1D
SCHEMBL3535358 0.77 HSD11B1 (0.38) HSD11B1CYP3A4PARK7ALDH1A1ADRA1D

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 2 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
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 45/4885GRM5 3597/4885

“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.