SCHEMBL5638240

SCHEMBL5638240

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2C(=O)Oc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LSS P48449 5/20 0.45
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
HPGD P15428 1/20 0.37
NR3C1 P04150 1/20 0.36

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
SCHEMBL5638238 1.00 KDM4E (0.45) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5637487 0.93 HSD17B10 (0.47) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5639022 0.93 LSS (0.45) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5637484 0.93 HSD17B10 (0.47) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5639015 0.93 LSS (0.45) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5635410 0.92 LSS (0.56) KDM4ELSSMAPTHSD17B10MEN1
SCHEMBL5637745 0.92 LSS (0.44) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5639229 0.92 LSS (0.44) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5639225 0.92 LSS (0.44) KDM4ELSSMAPTHSD17B10TP53
SCHEMBL5637742 0.92 LSS (0.44) KDM4ELSSMAPTHSD17B10TP53

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 KDM4E 3656/4885LSS 2/4885MAPT 3562/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 KDM4E 3656/4885LSS 2/4885MAPT 3562/4885

“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.