SCHEMBL5736331

SCHEMBL5736331

CCN(CC)CCCCOc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
LSS P48449 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 4/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
MAOA P21397 2/20 0.41
KCNA5 P22460 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL5734333 0.93 LSS (0.41) APPHRH3KCNH2MCHR1LSS
SCHEMBL5734688 0.93 LSS (0.52) APPHRH3KCNH2MCHR1LSS
SCHEMBL5734747 0.89 SCN9A (0.47) APPHRH3KCNH2MCHR1KDM4E
SCHEMBL5735766 0.88 FGFR1 (0.42) APPHRH3KCNH2MCHR1KDM4E
SCHEMBL5734917 0.88 LSS (0.44) APPHRH3LSSFGFR1SRC
SCHEMBL5736017 0.87 FGFR1 (0.53) KCNH2MCHR1MAOBFGFR1SRC
SCHEMBL5738493 0.87 LSS (0.42) LSSFGFR1SRCSLC6A2SLC6A4
SCHEMBL5737170 0.86 SLC6A2 (0.44) KCNH2FGFR1SRCSLC6A2SLC6A4
SCHEMBL5737178 0.85 HRH3 (0.49) APPHRH3KCNH2MCHR1KDM4E
SCHEMBL5737750 0.82 KCNA5 (0.42) KCNH2MCHR1KDM4EMAOBFGFR1

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 APP 2723/4885HRH3 3031/4885KCNH2 1400/4885

“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.