SCHEMBL5638565

SCHEMBL5638565

CC(C)(C)OC(=O)N1CCc2cc(OC/C=C/CBr)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.44
NOTUM Q6P988 1/20 0.44
DHODH Q02127 1/20 0.43
CHRM4 P08173 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
MPO P05164 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR2 Q92731 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
SCHEMBL5638568 1.00 GPR119 (0.44) GPR119NOTUMDHODHCHRM4DRD2
SCHEMBL5639615 0.94 HSD17B10 (0.45) GPR119DHODHMPOTP53MAPT
SCHEMBL5639611 0.94 HSD17B10 (0.45) GPR119DHODHMPOTP53MAPT
SCHEMBL5637890 0.84 LSS (0.47) GPR119NOTUMDHODHCHRM4DRD2
SCHEMBL5637892 0.84 LSS (0.47) GPR119NOTUMDHODHCHRM4DRD2
SCHEMBL5637515 0.83 GPR119 (0.48) GPR119NOTUMDHODHABHD6
SCHEMBL5389996 0.79 NOTUM (0.68) GPR119NOTUMCHRM4DRD2HTR7
SCHEMBL5637795 0.79 LSS (0.46) GPR119MPOTP53MAPTBRD4
SCHEMBL5637790 0.79 LSS (0.46) GPR119MPOTP53MAPTBRD4
SCHEMBL25316782 0.78 HSD17B10 (0.48) GPR119NOTUMMPOTP53MAPT

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 GPR119 28/4885NOTUM 1315/4885DHODH 22/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 GPR119 28/4885NOTUM 1315/4885DHODH 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.