SCHEMBL5737258

SCHEMBL5737258

Fc1ccc(-n2ccc3cc(OCCCCN4CCCCC4)ccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.62
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
MCHR1 Q99705 3/20 0.59
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
KCNH2 Q12809 1/20 0.54
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPK14 Q16539 1/20 0.47

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
SCHEMBL5737766 0.99 HRH3 (0.64) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5737099 0.99 HRH3 (0.64) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5736283 0.99 MEN1 (0.61) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5737519 0.97 MCHR1 (0.60) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5738313 0.97 MCHR1 (0.57) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5734336 0.95 MCHR1 (0.61) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5737288 0.93 MCHR1 (0.58) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5737022 0.89 SLC6A2 (0.57) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5736084 0.87 SLC6A2 (0.53) HRH3MEN1LMNAHTTKMT2A
SCHEMBL5736906 0.86 FGFR1 (0.54) HRH3LMNAMCHR1SLC6A2SLC6A4

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 HRH3 3031/4885MEN1 874/4885LMNA 3421/4885

“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.