SCHEMBL5736360

SCHEMBL5736360

C=CCN(C)CCCCCc1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.41
KCNH2 Q12809 1/20 0.39
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNQ4 P56696 2/20 0.33
KCNQ5 Q9NR82 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MGLL Q99685 1/20 0.32
HTR1A P08908 1/20 0.32
ABCB1 P08183 1/20 0.32
OXER1 Q8TDS5 1/20 0.31

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
SCHEMBL5735239 0.90 KCNH2 (0.43) LSSKCNH2SIGMAR1ABCB1
SCHEMBL5735791 0.88 BIRC5 (0.38) LSSKCNH2SIGMAR1OXER1
SCHEMBL5734361 0.85 KCNH2 (0.44) LSSKCNH2SIGMAR1ABCB1
SCHEMBL5736753 0.81 LSS (0.35) LSSSIGMAR1
SCHEMBL5735119 0.78 SIGMAR1 (0.38) LSSSIGMAR1OXER1
SCHEMBL5736939 0.77 SIGMAR1 (0.36) LSSSIGMAR1OXER1
SCHEMBL5734250 0.74 LSS (0.56) LSS
SCHEMBL5736501 0.74 LSS (0.56) LSS
SCHEMBL5738184 0.74 THRA (0.39) KCNH2SIGMAR1ABCB1OXER1
SCHEMBL5737645 0.74 SIGMAR1 (0.44) KCNH2SIGMAR1ABCB1OXER1

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 LSS 1/4885KCNH2 1400/4885KCNQ3 2456/4885

“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.