SCHEMBL5735136

SCHEMBL5735136

CCN(CC)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OXER1 Q8TDS5 1/20 0.37
BIRC5 O15392 1/20 0.37
S1PR1 P21453 1/20 0.35
ABCB1 P08183 2/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL5737242 0.92 KCNH2 (0.37) KCNH2OXER1BIRC5S1PR1
SCHEMBL5736291 0.91 KCNH2 (0.39) KCNH2OXER1BIRC5S1PR1ABCB1
SCHEMBL5736342 0.88 TAAR1 (0.41) KCNH2OXER1S1PR1
SCHEMBL5737645 0.86 SIGMAR1 (0.44) KCNH2OXER1S1PR1ABCB1
SCHEMBL27525288 0.85 OXER1 (0.46) KCNH2OXER1S1PR1
SCHEMBL5735155 0.83 SIGMAR1 (0.38) KCNH2OXER1S1PR1ABCB1
SCHEMBL5736508 0.83 KCNH2 (0.38) KCNH2OXER1BIRC5S1PR1ABCB1
SCHEMBL5735274 0.81 KCNH2 (0.43) KCNH2KDM4EALDH1A1OXER1S1PR1
SCHEMBL5735851 0.81 SIGMAR1 (0.37) KCNH2OXER1S1PR1ABCB1
SCHEMBL5736331 0.81 APP (0.46) KCNH2KDM4EMCHR1

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 1400/4885KDM4E 4187/4885ALDH1A1 1510/4885

“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.