SCHEMBL5735155

SCHEMBL5735155

CN(CCO)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
LSS P48449 2/20 0.35
S1PR1 P21453 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ABCB1 P08183 2/20 0.33
KCNH2 Q12809 1/20 0.32
KCNJ1 P48048 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
BCHE P06276 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
SCHEMBL5738184 0.90 THRA (0.39) SIGMAR1THRATHRBOXER1S1PR1
SCHEMBL5737645 0.90 SIGMAR1 (0.44) SIGMAR1OXER1S1PR1ABCB1KCNH2
SCHEMBL5736342 0.88 TAAR1 (0.41) SIGMAR1OXER1S1PR1KCNH2TAAR1
SCHEMBL5737242 0.87 KCNH2 (0.37) OXER1LSSS1PR1FFAR4KCNH2
SCHEMBL5735851 0.87 SIGMAR1 (0.37) SIGMAR1OXER1LSSS1PR1ABCB1
SCHEMBL5735136 0.83 KCNH2 (0.38) OXER1S1PR1ABCB1KCNH2
SCHEMBL27525288 0.80 OXER1 (0.46) OXER1S1PR1KCNH2
SCHEMBL5736508 0.78 KCNH2 (0.38) OXER1S1PR1ABCB1KCNH2BCHE
SCHEMBL5736956 0.78 LSS (0.40) LSSFFAR4KCNH2KCNJ1
SCHEMBL5735274 0.77 KCNH2 (0.43) OXER1S1PR1ABCB1KCNH2BCHE

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 SIGMAR1 3267/4885THRA 2300/4885THRB 2202/4885

“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.