SCHEMBL5737530

SCHEMBL5737530

CCN(CC)CCCCOc1ccc2c(ccn2-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
KCNA5 P22460 2/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
ACHE P22303 5/20 0.41
BCHE P06276 3/20 0.41
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
LYN P07948 1/20 0.41
MAOB P27338 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
SCHEMBL5737750 0.85 KCNA5 (0.42) KCNH2MCHR1KCNA5FGFR1SRC
SCHEMBL5736017 0.84 FGFR1 (0.53) SIGMAR1KCNH2MCHR1KCNA5FGFR1
SCHEMBL5734099 0.79 FGFR1 (0.48) KCNH2MCHR1KCNA5FGFR1SRC
SCHEMBL5736331 0.76 APP (0.46) KCNH2MCHR1KCNA5FGFR1SRC
SCHEMBL5734747 0.76 SCN9A (0.47) KCNH2MCHR1FGFR1SRCMAOB
SCHEMBL5735766 0.76 FGFR1 (0.42) KCNH2MCHR1KCNA5FGFR1SRC
SCHEMBL5737178 0.73 HRH3 (0.49) KCNH2MCHR1FGFR1SRCMAOB
SCHEMBL5734688 0.72 LSS (0.52) KCNH2MCHR1KCNA5FGFR1SRC
SCHEMBL5735542 0.72 APP (0.42) KCNH2MCHR1KCNA5FGFR1SRC
SCHEMBL5734333 0.70 LSS (0.41) KCNH2MCHR1KCNA5FGFR1SRC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 SIGMAR1 3267/4885KCNH2 1400/4885MCHR1 587/4885

“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.