SCHEMBL5736084

SCHEMBL5736084

OC1CCN(CCCCOc2ccc3c(ccn3-c3ccc(F)cc3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SIGMAR1 Q99720 4/20 0.51
HRH3 Q9Y5N1 5/20 0.50
KCNH2 Q12809 2/20 0.50
MCHR1 Q99705 3/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5736468 0.97 HRH3 (0.53) SLC6A2SLC6A4SIGMAR1HRH3KCNH2
SCHEMBL5736283 0.88 MEN1 (0.61) SLC6A2SLC6A4HRH3KCNH2MCHR1
SCHEMBL5738313 0.88 MCHR1 (0.57) SLC6A2SLC6A4SIGMAR1HRH3KCNH2
SCHEMBL5737258 0.87 HRH3 (0.62) SLC6A2SLC6A4HRH3KCNH2MCHR1
SCHEMBL5737766 0.86 HRH3 (0.64) SLC6A2SLC6A4HRH3KCNH2MCHR1
SCHEMBL5737099 0.86 HRH3 (0.64) SLC6A2SLC6A4HRH3KCNH2MCHR1
SCHEMBL5737022 0.85 SLC6A2 (0.57) SLC6A2SLC6A4HRH3KCNH2MCHR1
SCHEMBL5734336 0.85 MCHR1 (0.61) SLC6A2SLC6A4SIGMAR1HRH3KCNH2
SCHEMBL5737288 0.85 MCHR1 (0.58) SLC6A2SLC6A4SIGMAR1HRH3KCNH2
SCHEMBL5737519 0.84 MCHR1 (0.60) SLC6A2SLC6A4SIGMAR1HRH3KCNH2

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 SLC6A2 529/4885SLC6A4 989/4885SIGMAR1 3267/4885

“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.