SCHEMBL5637550

SCHEMBL5637550

CCN(CC)CCCCOc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 3/20 0.41
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
PDK3 Q15120 3/20 0.41
PDK4 Q16654 3/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5639554 0.86 LSS (0.46) MAPTLMNAHRH3
SCHEMBL5637065 0.85 LSS (0.47) MAPTLMNA
SCHEMBL5638021 0.84 MAPT (0.53) MAPTLMNAHRH3ALDH1A1HPGD
SCHEMBL5637787 0.83 MAOB (0.48) MAPTLMNAHRH3ALDH1A1HPGD
SCHEMBL5639937 0.81 MAPT (0.53) MAPTLMNAHRH3ALDH1A1HPGD
SCHEMBL5637271 0.81 MAOB (0.43) MAPTLMNAHRH3ALDH1A1HPGD
SCHEMBL5639648 0.81 LSS (0.47)
SCHEMBL6397861 0.79 MAPT (0.47) MAPTLMNAHRH3ALDH1A1MAOB
SCHEMBL5639625 0.79 MAOB (0.44) MAPTLMNAHRH3ALDH1A1HPGD
SCHEMBL5639737 0.78 TSHR (0.50) MAPTLMNAHRH3ALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
CN-1208322-C Indoline and tetrahydroquinoline derivatives HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
CN-1481366-A Dihydroindole and tetrahydroquinoline derivatives - 2004-03-10 CN disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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 (2 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 MAPT 3562/4885LMNA 3715/4885HRH3 1065/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 MAPT 3562/4885LMNA 3715/4885HRH3 1065/4885

“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.