SCHEMBL5737178

SCHEMBL5737178

CCN(CC)CCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
APP P05067 1/20 0.49
SCN9A Q15858 1/20 0.48
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MCHR1 Q99705 2/20 0.45
PPARG P37231 1/20 0.42
MAOB P27338 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL5734747 0.97 SCN9A (0.47) HRH3APPSCN9AKCNH2KDM4E
SCHEMBL5735616 0.92 HRH3 (0.45) HRH3APPSCN9AKCNH2KDM4E
SCHEMBL5736727 0.92 KCNH2 (0.43) HRH3APPSCN9AKCNH2KDM4E
SCHEMBL5737793 0.89 KCNH2 (0.42) HRH3APPSCN9AKCNH2MCHR1
SCHEMBL5735542 0.89 APP (0.42) HRH3APPSCN9AKCNH2KDM4E
SCHEMBL5735996 0.88 FGFR1 (0.50) KCNH2KDM4EMCHR1PPARGFGFR1
SCHEMBL5737364 0.87 PPARG (0.43) HRH3APPKCNH2KDM4EMCHR1
SCHEMBL5734035 0.86 KCNH2 (0.45) SCN9AKCNH2KDM4EMCHR1PPARG
SCHEMBL5736331 0.85 APP (0.46) HRH3APPKCNH2KDM4EMCHR1
SCHEMBL5734082 0.85 KDM4E (0.51) KCNH2KDM4EMCHR1PPARGFGFR1

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 HRH3 3031/4885APP 2723/4885SCN9A 4126/4885

“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.