SCHEMBL5456894

SCHEMBL5456894

[CH2]Cc1cncc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.54
CYP11B2 P19099 4/20 0.54
FDPS P14324 3/20 0.53
ATM Q13315 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNA7 P36544 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CNR1 P21554 1/20 0.40
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL10271979 0.80 CYP11B1 (0.54) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL5021664 0.80 FDPS (0.57) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL2646363 0.80 CYP11B1 (0.54) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL5021553 0.80 FDPS (0.57) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL8625514 0.79 CYP11B1 (0.50) CYP11B1CYP11B2FDPSATMMKNK1
Bromide SCHEMBL2503415 0.78 CYP11B1 (0.53) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL21692173 0.78 ATM (0.62) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL722248 0.78 ATM (0.62) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL16135139 0.77 CYP11B1 (0.51) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL17102863 0.76 GRIN2D (0.47) CYP11B1CYP11B2GRIN2DGRIN3BGRIN1

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-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO 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-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 CYP11B1 1965/4885CYP11B2 1431/4885FDPS 2947/4885

“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.