SCHEMBL5735616

SCHEMBL5735616

CCN(CCO)CCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
APP P05067 1/20 0.45
KCNH2 Q12809 2/20 0.43
SCN9A Q15858 1/20 0.42
PPARG P37231 2/20 0.41
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LSS P48449 2/20 0.38
MAOB P27338 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5735542 0.97 APP (0.42) HRH3APPKCNH2SCN9APPARG
SCHEMBL5737364 0.94 PPARG (0.43) HRH3APPKCNH2PPARGMCHR1
SCHEMBL5737178 0.92 HRH3 (0.49) HRH3APPKCNH2SCN9APPARG
SCHEMBL5735281 0.90 PPARG (0.43) KCNH2PPARGMCHR1KDM4EPPARD
SCHEMBL5736727 0.90 KCNH2 (0.43) HRH3APPKCNH2SCN9APPARG
SCHEMBL5734747 0.89 SCN9A (0.47) HRH3APPKCNH2SCN9APPARG
SCHEMBL5736063 0.87 KCNH2 (0.44) KCNH2PPARGMCHR1PPARDPPARA
SCHEMBL5734688 0.87 LSS (0.52) HRH3APPKCNH2MCHR1LSS
SCHEMBL5737793 0.87 KCNH2 (0.42) HRH3APPKCNH2SCN9APPARG
SCHEMBL5734099 0.85 FGFR1 (0.48) HRH3APPKCNH2MCHR1LSS

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 3031/4885APP 2723/4885KCNH2 1400/4885

“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.