SCHEMBL5737646

SCHEMBL5737646

CC(CCN)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
OXER1 Q8TDS5 2/20 0.33
KCNH2 Q12809 1/20 0.32
S1PR1 P21453 1/20 0.32
ROCK1 Q13464 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL5738496 0.82 SLC6A2 (0.38) HTR2AHTR2CKCNH2ROCK1FFAR4
SCHEMBL27525288 0.80 OXER1 (0.46) OXER1KCNH2S1PR1
SCHEMBL5736342 0.78 TAAR1 (0.41) OXER1KCNH2S1PR1TAAR1
SCHEMBL5735136 0.76 KCNH2 (0.38) OXER1KCNH2S1PR1
SCHEMBL5737645 0.75 SIGMAR1 (0.44) OXER1KCNH2S1PR1TAAR1
SCHEMBL5735155 0.74 SIGMAR1 (0.38) OXER1KCNH2S1PR1TAAR1FFAR4
SCHEMBL5733978 0.74 OXER1 (0.35) OXER1KCNH2S1PR1FFAR4
SCHEMBL5735851 0.72 SIGMAR1 (0.37) OXER1KCNH2S1PR1
SCHEMBL5737242 0.72 KCNH2 (0.37) OXER1KCNH2S1PR1FFAR4
SCHEMBL5735825 0.72 KCNH2 (0.43) KCNH2FFAR4

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 HTR2A 1122/4885HTR2C 884/4885OXER1 115/4885

“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.