SCHEMBL5736342

SCHEMBL5736342

CN(C)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
KCNH2 Q12809 3/20 0.37
OXER1 Q8TDS5 1/20 0.36
S1PR1 P21453 1/20 0.34

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
SCHEMBL5737645 0.89 SIGMAR1 (0.44) TAAR1SIGMAR1KCNH2OXER1S1PR1
SCHEMBL5735136 0.88 KCNH2 (0.38) KCNH2OXER1S1PR1
SCHEMBL5735155 0.88 SIGMAR1 (0.38) TAAR1SIGMAR1KCNH2OXER1S1PR1
SCHEMBL5735851 0.86 SIGMAR1 (0.37) SIGMAR1KCNH2OXER1S1PR1
SCHEMBL27525288 0.85 OXER1 (0.46) KCNH2OXER1S1PR1
SCHEMBL5737242 0.83 KCNH2 (0.37) KCNH2OXER1S1PR1
SCHEMBL5737646 0.78 HTR2A (0.35) TAAR1KCNH2OXER1S1PR1
SCHEMBL5733978 0.78 OXER1 (0.35) KCNH2OXER1S1PR1
SCHEMBL5736291 0.78 KCNH2 (0.39) KCNH2OXER1S1PR1
SCHEMBL5738184 0.77 THRA (0.39) SIGMAR1KCNH2OXER1S1PR1

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 TAAR1 2188/4885SIGMAR1 3267/4885KCNH2 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.