SCHEMBL5637795

SCHEMBL5637795

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.46
MAPT P10636 2/20 0.41
MPO P05164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PDK1 Q15118 4/20 0.37
PDK2 Q15119 4/20 0.37
PDK3 Q15120 4/20 0.37
PDK4 Q16654 4/20 0.37
TP53 P04637 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5637790 1.00 LSS (0.46) LSSMAPTMPOHSD17B10BRD4
SCHEMBL5637890 0.94 LSS (0.47) LSSMAPTMPOGPR119
SCHEMBL5637892 0.94 LSS (0.47) LSSMAPTMPOGPR119
SCHEMBL5638657 0.89 LSS (0.47) LSSMAPTHSD17B10KDM4EPDK1
SCHEMBL5638653 0.89 LSS (0.47) LSSMAPTHSD17B10KDM4EPDK1
SCHEMBL5637194 0.88 LSS (0.49) LSSMAPTHSD17B10KDM4EPDK1
SCHEMBL5637190 0.88 LSS (0.49) LSSMAPTHSD17B10KDM4EPDK1
SCHEMBL5639015 0.86 LSS (0.45) LSSMAPTHSD17B10KDM4EPDK1
SCHEMBL5639022 0.86 LSS (0.45) LSSMAPTHSD17B10KDM4EPDK1
SCHEMBL5637484 0.86 HSD17B10 (0.47) LSSMAPTHSD17B10KDM4EPDK1

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 7 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
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
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 LSS 2/4885MAPT 3562/4885MPO 2316/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885MAPT 3562/4885MPO 2316/4885

“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.