SCHEMBL5738677

SCHEMBL5738677

CCN(CC)CCCC#Cc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.44
HRH3 Q9Y5N1 2/20 0.34
APP P05067 1/20 0.33
KCNH2 Q12809 4/20 0.32
MCHR1 Q99705 2/20 0.32
SLC6A2 P23975 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5734346 0.93 LSS (0.54) LSSHRH3APPNPC1RAB9A
SCHEMBL5738643 0.89 LSS (0.34) LSSHRH3APPKCNH2MCHR1
SCHEMBL5737093 0.89 LSS (0.35) LSSKCNH2SLC6A2FFAR4
SCHEMBL5738648 0.87 LSS (0.35) LSSKCNH2SLC6A2
SCHEMBL5736956 0.84 LSS (0.40) LSSKCNH2FFAR4
SCHEMBL5734945 0.83 FFAR4 (0.35) LSSKCNH2FFAR4
SCHEMBL5735408 0.83 LSS (0.43) LSSHRH3APPFFAR4
SCHEMBL5735242 0.83 LSS (0.43) LSSHRH3APPKCNH2NPC1
SCHEMBL5736041 0.83 SIGMAR1 (0.33) LSSFFAR4
SCHEMBL5736335 0.78 FFAR4 (0.35) KCNH2FFAR4

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 LSS 1/4885HRH3 3031/4885APP 2723/4885

“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.