SCHEMBL5736355

SCHEMBL5736355

CC(C)(C#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
MGLL Q99685 7/20 0.37
CHRNA1 P02708 2/20 0.36
CHRNG P07510 2/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR3A P46098 2/20 0.36
CHRND Q07001 2/20 0.36
HPGDS O60760 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
FAAH O00519 1/20 0.33
NR3C1 P04150 1/20 0.33
GRM5 P41594 1/20 0.33
MCHR1 Q99705 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL5736257 0.74 KCNH2 (0.49) KCNH2MGLLHPGDEPHX2NR3C1
SCHEMBL5736181 0.74 KCNH2 (0.46) KCNH2MGLLHPGDEPHX2NR3C1
SCHEMBL6961365 0.71 KCNH2 (0.56) KCNH2MGLLEPHX2FAAH
SCHEMBL6583376 0.71 KCNH2 (0.56) KCNH2MGLLEPHX2
SCHEMBL5737999 0.71 KCNH2 (0.50) KCNH2MGLLHPGDEPHX2FAAH
SCHEMBL5737559 0.68 KCNH2 (0.46) KCNH2MGLLHPGDEPHX2FAAH
SCHEMBL9463558 0.66 KCNH2 (0.65) KCNH2MGLLHPGDEPHX2NR3C1
SCHEMBL12069041 0.65 SCN9A (0.52) KCNH2
SCHEMBL5735249 0.65 KCNH2 (0.46) KCNH2MGLLHPGDEPHX2
SCHEMBL122499 0.64 KCNH2 (0.57) KCNH2MGLLHPGDSHPGDEPHX2

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 1400/4885MGLL 300/4885CHRNA1 2453/4885

“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.