SCHEMBL5736041

SCHEMBL5736041

COCCN(C)CCCC#Cc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
LSS P48449 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PTGER2 P43116 1/20 0.30
KCNJ1 P48048 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
SCHEMBL5738648 0.89 LSS (0.35) LSSKCNJ1
SCHEMBL5736956 0.88 LSS (0.40) LSSFFAR4KCNJ1
SCHEMBL5737093 0.87 LSS (0.35) LSSFFAR4KCNJ1
SCHEMBL5738677 0.83 LSS (0.44) LSSFFAR4
SCHEMBL5735851 0.79 SIGMAR1 (0.37) SIGMAR1LSS
SCHEMBL5734945 0.79 FFAR4 (0.35) LSSFFAR4
SCHEMBL5734346 0.78 LSS (0.54) LSSFFAR4
SCHEMBL5736335 0.78 FFAR4 (0.35) FFAR4
SCHEMBL5735289 0.78 SLC6A4 (0.32) LSSFFAR4KCNJ1
SCHEMBL5737143 0.74 KCNH2 (0.41) LSSFFAR4KCNJ1

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 3267/4885LSS 1/4885FFAR4 1018/4885

“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.