SCHEMBL5737291

SCHEMBL5737291

C#Cc1ccc(-n2ccc3cc(C#CCCCO)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
KCNH2 Q12809 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
MELK Q14680 1/20 0.32
HDAC3 O15379 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
SCHEMBL5737559 0.88 KCNH2 (0.46) FFAR4KCNH2GABRPGABRDGABRA1
SCHEMBL5734945 0.88 FFAR4 (0.35) FFAR4KCNH2GABRPGABRDGABRA1
SCHEMBL5735289 0.87 SLC6A4 (0.32) FFAR4KCNH2
SCHEMBL5735408 0.85 LSS (0.43) FFAR4
SCHEMBL5734279 0.84 GABRA1 (0.34) FFAR4KCNH2GABRPGABRDGABRA1
SCHEMBL5738643 0.83 LSS (0.34) FFAR4KCNH2
SCHEMBL5736334 0.80 FFAR4 (0.35) FFAR4KCNH2
SCHEMBL5737999 0.77 KCNH2 (0.50) FFAR4KCNH2MELKHDAC3HDAC4
SCHEMBL5736956 0.76 LSS (0.40) FFAR4KCNH2
SCHEMBL5734346 0.74 LSS (0.54) FFAR4

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 FFAR4 1018/4885KCNH2 1400/4885GABRP 4001/4885

“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.