SCHEMBL5736727

SCHEMBL5736727

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
APP P05067 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SCN9A Q15858 1/20 0.42
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MIF P14174 1/20 0.39
PPARG P37231 1/20 0.39
ABCB1 P08183 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
FGFR1 P11362 1/20 0.38
SRC P12931 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
SCHEMBL5737793 0.97 KCNH2 (0.42) KCNH2APPHRH3SCN9AMCHR1
SCHEMBL5737178 0.92 HRH3 (0.49) KCNH2APPHRH3SCN9AMCHR1
SCHEMBL5735616 0.90 HRH3 (0.45) KCNH2APPHRH3SCN9AMCHR1
SCHEMBL5734747 0.89 SCN9A (0.47) KCNH2APPHRH3SCN9AMCHR1
SCHEMBL5734616 0.87 KCNH2 (0.44) KCNH2MCHR1MIFPPARGABCB1
SCHEMBL5735542 0.87 APP (0.42) KCNH2APPHRH3SCN9AMCHR1
SCHEMBL5734333 0.87 LSS (0.41) KCNH2APPHRH3MCHR1KDM4E
SCHEMBL5734759 0.84 KCNH2 (0.44) KCNH2MCHR1KDM4EMIFPPARG
SCHEMBL5735996 0.83 FGFR1 (0.50) KCNH2MCHR1KDM4EPPARGSMN1; SMN2
SCHEMBL5737364 0.83 PPARG (0.43) KCNH2APPHRH3MCHR1KDM4E

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 KCNH2 1400/4885APP 2723/4885HRH3 3031/4885

“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.