SCHEMBL5736063

SCHEMBL5736063

CN(CCO)CCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
LTA4H P09960 2/20 0.43
PPARG P37231 2/20 0.42
FDPS P14324 1/20 0.42
HTR5A P47898 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
MCHR1 Q99705 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL5737378 0.97 KCNH2 (0.44) KCNH2LTA4HPPARGFDPSFGFR1
SCHEMBL5734035 0.90 KCNH2 (0.45) KCNH2LTA4HPPARGFDPSHTR5A
SCHEMBL5734616 0.89 KCNH2 (0.44) KCNH2LTA4HPPARGFDPSHTR5A
SCHEMBL5737364 0.89 PPARG (0.43) KCNH2PPARGFGFR1SRCMCHR1
SCHEMBL5735996 0.88 FGFR1 (0.50) KCNH2PPARGFGFR1SRCMCHR1
SCHEMBL5735616 0.87 HRH3 (0.45) KCNH2PPARGFGFR1SRCMCHR1
SCHEMBL5735989 0.87 KCNH2 (0.44) KCNH2LTA4HPPARGFGFR1SRC
SCHEMBL5735822 0.86 KCNH2 (0.44) KCNH2LTA4HPPARGFGFR1SRC
SCHEMBL5734759 0.86 KCNH2 (0.44) KCNH2LTA4HPPARGFDPSFGFR1
SCHEMBL5735281 0.86 PPARG (0.43) KCNH2PPARGFGFR1SRCMCHR1

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 KCNH2 1400/4885LTA4H 1185/4885PPARG 1237/4885

“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.