SCHEMBL5737263

SCHEMBL5737263

CCNCCCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
PPARG P37231 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MCHR1 Q99705 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL5734610 0.97 KCNH2 (0.47) KCNH2PPARGDRD2DRD4DRD3
SCHEMBL5735267 0.88 KCNH2 (0.48) KCNH2PPARGALDH1A1HPGDTSHR
SCHEMBL5737331 0.88 TP53 (0.45) KCNH2PPARGDRD2DRD4DRD3
SCHEMBL5736626 0.86 KDM4E (0.42) KCNH2PPARGDRD2DRD4DRD3
SCHEMBL5736512 0.84 PPARG (0.43) KCNH2PPARGDRD2DRD4DRD3
SCHEMBL5736356 0.82 PPARG (0.42) KCNH2PPARGDRD2DRD4DRD3
SCHEMBL5736908 0.82 KCNH2 (0.48) KCNH2PPARGPPARDPPARAMCHR1
SCHEMBL5734747 0.82 SCN9A (0.47) KCNH2PPARGKDM4EMCHR1
SCHEMBL5734082 0.81 KDM4E (0.51) KCNH2PPARGALDH1A1KDM4ESMN1; SMN2
SCHEMBL5736518 0.81 KCNH2 (0.47) KCNH2PPARGPPARDPPARAMCHR1

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 1400/4885PPARG 1237/4885DRD2 842/4885

“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.