SCHEMBL5637892

SCHEMBL5637892

C=CCN(C)CC=CCOc1ccc2c(c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.47
GPR119 Q8TDV5 7/20 0.41
DHODH Q02127 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 2/20 0.36
GHSR Q92847 1/20 0.36
CHRM4 P08173 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
MPO P05164 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
SCHEMBL5637890 1.00 LSS (0.47) LSSGPR119DHODHNOTUMMAPT
SCHEMBL5637795 0.94 LSS (0.46) LSSGPR119MAPTMPO
SCHEMBL5637790 0.94 LSS (0.46) LSSGPR119MAPTMPO
SCHEMBL5637401 0.85 LSS (0.47) LSSGPR119
SCHEMBL5638565 0.84 GPR119 (0.44) GPR119DHODHNOTUMMAPTCHRM4
SCHEMBL5638568 0.84 GPR119 (0.44) GPR119DHODHNOTUMMAPTCHRM4
SCHEMBL5638653 0.83 LSS (0.47) LSSMAPT
SCHEMBL5638657 0.83 LSS (0.47) LSSMAPT
SCHEMBL5637194 0.82 LSS (0.49) LSSMAPT
SCHEMBL5637190 0.82 LSS (0.49) LSSMAPT

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 LSS 2/4885GPR119 28/4885DHODH 22/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885GPR119 28/4885DHODH 22/4885

“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.