SCHEMBL5737362

SCHEMBL5737362

Brc1ccc(-n2ccc3cc(OCCCCN4CCC4)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.57
SLC6A4 P31645 4/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH3 Q9Y5N1 6/20 0.50
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
RAB9A P51151 1/20 0.45
MCHR1 Q99705 1/20 0.44
HDAC3 O15379 1/20 0.43
HTR6 P50406 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL5738313 0.89 MCHR1 (0.57) SLC6A2SLC6A4HRH3MCHR1
SCHEMBL75186 0.87 ATM (0.55) SLC6A2SLC6A4ATML3MBTL1HRH3
SCHEMBL5736283 0.86 MEN1 (0.61) SLC6A2SLC6A4HRH3LTA4HMCHR1
SCHEMBL5737258 0.85 HRH3 (0.62) SLC6A2SLC6A4HRH3MCHR1MAPK14
SCHEMBL5737288 0.85 MCHR1 (0.58) SLC6A2SLC6A4HRH3LTA4HMCHR1
SCHEMBL5737099 0.84 HRH3 (0.64) SLC6A2SLC6A4HRH3MCHR1MAPK14
SCHEMBL5737766 0.84 HRH3 (0.64) SLC6A2SLC6A4HRH3MCHR1MAPK14
SCHEMBL5737170 0.83 SLC6A2 (0.44) SLC6A2SLC6A4ATML3MBTL1RAB9A
SCHEMBL5734336 0.83 MCHR1 (0.61) SLC6A2SLC6A4HRH3LTA4HMCHR1
SCHEMBL5737519 0.82 MCHR1 (0.60) SLC6A2SLC6A4HRH3MCHR1

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 989/4885ATM 3092/4885

“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.