SCHEMBL5637474

SCHEMBL5637474

C=CCN(C)CCCCCc1ccc2c(c1)CCN2C(=O)S

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
LSS P48449 6/20 0.38
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
TP53 P04637 3/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
NOTUM Q6P988 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
SCHEMBL5637681 0.91 LSS (0.40) S1PR1LSSADRB2ADRB1ADRB3
SCHEMBL5637479 0.86 S1PR1 (0.39) S1PR1LSSADRB2ADRB1ADRB3
SCHEMBL5639987 0.86 TP53 (0.51) TP53THRBLMNA
SCHEMBL5635775 0.85 DHODH (0.47) S1PR1LSS
SCHEMBL5637238 0.84 TP53 (0.54) LSSTP53THRBLMNA
SCHEMBL5637726 0.84 LMNA (0.52) LSSTP53THRBLMNA
SCHEMBL5639500 0.84 LMNA (0.52) LSSTP53THRBLMNA
SCHEMBL5638204 0.83 TP53 (0.49) TP53THRBLMNA
SCHEMBL5637364 0.82 LSS (0.50) LSS
SCHEMBL6400266 0.82 MAPT (0.46) LSSTP53LMNA

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
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-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 (1 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-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 S1PR1 4035/4885LSS 2/4885ADRB2 1209/4885

“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.