SCHEMBL5638263

SCHEMBL5638263

C=CCN(C)CCCCCc1ccc2c(c1)CCN2C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TP53 P04637 2/20 0.42
LSS P48449 7/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
NOTUM Q6P988 1/20 0.38
IDO1 P14902 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
SCHEMBL5637232 0.90 LSS (0.38) THRBTP53LSSLMNAMAPT
Acetic Acid SCHEMBL5639298 0.89 LSS (0.41) THRBTP53LSSLMNAMAPT
SCHEMBL5638140 0.88 LSS (0.51) LSS
SCHEMBL5637238 0.86 TP53 (0.54) THRBTP53LSSLMNAMAPT
SCHEMBL5635775 0.84 DHODH (0.47) LSSDRD2
SCHEMBL5637520 0.83 LSS (0.51) LSS
SCHEMBL5639077 0.83 LSS (0.51) LSS
SCHEMBL5637681 0.83 LSS (0.40) THRBTP53LSSMAPT
SCHEMBL5639200 0.82 LSS (0.49) LSS
SCHEMBL5637474 0.82 S1PR1 (0.38) THRBTP53LSSLMNANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US claimed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US claimed
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 THRB 2721/4885TP53 488/4885LSS 2/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 THRB 2721/4885TP53 488/4885LSS 2/4885

“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.