SCHEMBL5638653

SCHEMBL5638653

C=CCN(C)C/C=C/COc1ccc2c(c1)CCCN2C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PDK1 Q15118 4/20 0.39
PDK2 Q15119 4/20 0.39
PDK3 Q15120 4/20 0.39
PDK4 Q16654 4/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5638657 1.00 LSS (0.47) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5638024 0.93 LSS (0.44) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5638027 0.93 LSS (0.44) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5639400 0.91 LSS (0.46) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5639402 0.91 LSS (0.46) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5637445 0.90 LSS (0.42) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5637447 0.90 LSS (0.42) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5638238 0.90 KDM4E (0.45) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5638240 0.90 KDM4E (0.45) LSSMAPTKDM4EHSD17B10TP53
SCHEMBL5637194 0.89 LSS (0.49) LSSMAPTKDM4EHSD17B10TP53

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
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
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US 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 3562/4885KDM4E 3656/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885MAPT 3562/4885KDM4E 3656/4885

“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.