SCHEMBL5737331

SCHEMBL5737331

OCCNCCCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALOX15 P16050 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SRC P12931 2/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL5736512 0.97 PPARG (0.43) TP53GAAPPARGKCNH2DRD2
SCHEMBL5737263 0.88 KCNH2 (0.46) PPARGKCNH2DRD2DRD4DRD3
SCHEMBL5735267 0.85 KCNH2 (0.48) PPARGKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL5736626 0.85 KDM4E (0.42) GAAPPARGKCNH2DRD2DRD4
SCHEMBL5734610 0.84 KCNH2 (0.47) PPARGKCNH2DRD2DRD4DRD3
SCHEMBL5735281 0.82 PPARG (0.43) PPARGKCNH2SMN1; SMN2MCHR1SLC6A2
SCHEMBL5736356 0.81 PPARG (0.42) GAAPPARGKCNH2DRD2DRD4
SCHEMBL5736908 0.81 KCNH2 (0.48) PPARGKCNH2MCHR1SLC6A2SLC6A4
SCHEMBL5737364 0.81 PPARG (0.43) PPARGKCNH2MCHR1SLC6A2SLC6A4
SCHEMBL5737378 0.81 KCNH2 (0.44) PPARGKCNH2SMN1; SMN2MCHR1SRC

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 TP53 1060/4885GAA 1534/4885PPARG 1237/4885

“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.