SCHEMBL5736508

SCHEMBL5736508

CCc1ccc(-n2ccc3cc(CCCCCN(CC)CCO)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
BCHE P06276 1/20 0.38
OXER1 Q8TDS5 1/20 0.38
S1PR1 P21453 1/20 0.36
BIRC5 O15392 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ABCB1 P08183 2/20 0.33
APP P05067 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5736291 0.92 KCNH2 (0.39) KCNH2OXER1S1PR1BIRC5ABCB1
SCHEMBL5737242 0.92 KCNH2 (0.37) KCNH2BCHEOXER1S1PR1BIRC5
SCHEMBL5735274 0.92 KCNH2 (0.43) KCNH2BCHEOXER1S1PR1ABCB1
SCHEMBL5738184 0.88 THRA (0.39) KCNH2BCHEOXER1S1PR1ABCB1
SCHEMBL5735136 0.83 KCNH2 (0.38) KCNH2OXER1S1PR1BIRC5ABCB1
SCHEMBL5735155 0.78 SIGMAR1 (0.38) KCNH2BCHEOXER1S1PR1ABCB1
SCHEMBL5734099 0.74 FGFR1 (0.48) KCNH2BCHEAPPHRH3
SCHEMBL5735700 0.74 KCNH2 (0.49) KCNH2BCHEOXER1S1PR1
SCHEMBL5735542 0.74 APP (0.42) KCNH2ABCB1APPHRH3
SCHEMBL5734688 0.74 LSS (0.52) KCNH2SLC6A2SLC6A4APPHRH3

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 1400/4885BCHE 1147/4885OXER1 115/4885

“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.