SCHEMBL5239100

SCHEMBL5239100

CCOc1ccc2c(c1)c(CC(C)NC(=O)OC(C)(C)C)c1n2CCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.63
MTNR1A P48039 11/20 0.44
MTNR1B P49286 11/20 0.44
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
HTR6 P50406 1/20 0.39
ACACB O00763 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 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
SCHEMBL5238061 0.90 HTR2C (0.51) HTR2CMTNR1AMTNR1BGAAMAPK1
SCHEMBL5238069 0.90 HTR2C (0.51) HTR2CMTNR1AMTNR1BGAAMAPK1
SCHEMBL5231348 0.89 HTR2C (0.49) HTR2CMTNR1AMTNR1BGAAMAPK1
SCHEMBL5233121 0.87 GAA (0.48) HTR2CGAAMAPK1HTR6ALDH1A1
SCHEMBL5229139 0.80 HTR2C (0.38) HTR2CGAAMAPK1ALDH1A1CYP2D6
SCHEMBL5231203 0.77 CYP2D6 (0.36) HTR2CGAAMAPK1CYP2D6
SCHEMBL6640170 0.77 HTR2C (0.51) HTR2CMTNR1AMTNR1BMAPK1HTR6
SCHEMBL12579952 0.72 HTR2C (0.71) HTR2CMTNR1AMTNR1BGAAMAPK1
SCHEMBL5233126 0.70 HTR2C (0.82) HTR2CMTNR1AMTNR1BGAAMAPK1
SCHEMBL7163373 0.70 HTR2C (0.76) HTR2CMTNR1AMTNR1BGAAMAPK1

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
EP-1347979-B1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-08 EP disclosed
EP-1347979-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6610685-B2 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020160997-A1 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat F.HOFFANN-LA ROCHE AG (CH) 2002-10-31 US disclosed
WO-2002051844-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 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-20020160997-A1 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat PNLIP, LIPA, LPL HTR2C 502/4885MTNR1A 320/4885MTNR1B 251/4885

“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.