SCHEMBL5637762

SCHEMBL5637762

C=CCN(C)CCCCCc1ccc2c(c1)CCN2C(=O)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.42
LSS P48449 2/20 0.41
IDO1 P14902 1/20 0.40
LMNA P02545 6/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5639987 0.89 TP53 (0.51) TP53LMNATHRBMAPT
SCHEMBL5639952 0.86 LSS (0.52) LSSLMNA
SCHEMBL5639500 0.83 LMNA (0.52) TP53LSSLMNATHRBMAPT
SCHEMBL5637726 0.83 LMNA (0.52) TP53LSSLMNATHRB
SCHEMBL5637238 0.83 TP53 (0.54) TP53LSSIDO1LMNATHRB
SCHEMBL5639232 0.83 LSS (0.52) LSSMAPT
SCHEMBL5639619 0.82 LSS (0.50) LSSLMNAMAPT
SCHEMBL5637681 0.82 LSS (0.40) TP53LSSTHRBMAPT
SCHEMBL5637474 0.81 S1PR1 (0.38) TP53LSSLMNATHRB
SCHEMBL5637479 0.78 S1PR1 (0.39) TP53LSS

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 TP53 488/4885LSS 2/4885IDO1 1385/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 TP53 488/4885LSS 2/4885IDO1 1385/4885

“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.