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SCHEMBL5238069

SCHEMBL5238069

COC(=O)COc1ccc2c(c1)c(CC(C)NC(=O)OC(C)(C)C)c1n2CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.51
▸ HTR6 P50406 1/20 0.39
▸ MTNR1A P48039 11/20 0.37
▸ MTNR1B P49286 11/20 0.37
▸ HDAC8 Q9BY41 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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 1.00 HTR2C (0.51) HTR2CHTR6MTNR1AMTNR1BHDAC8
SCHEMBL5239100 0.90 HTR2C (0.63) HTR2CHTR6MTNR1AMTNR1BMAPK1
SCHEMBL5231348 0.85 HTR2C (0.49) HTR2CHTR6MTNR1AMTNR1BMAPK1
SCHEMBL5233121 0.85 GAA (0.48) HTR2CHTR6MAPK1KMT2ACYP2D6
SCHEMBL5229139 0.78 HTR2C (0.38) HTR2CMAPK1KMT2ACYP2D6GAA
SCHEMBL6640170 0.77 HTR2C (0.51) HTR2CHTR6MTNR1AMTNR1BMAPK1
SCHEMBL5231203 0.75 CYP2D6 (0.36) HTR2CMAPK1CYP2D6GAA
Hydrochloric Acid SCHEMBL6647520 0.69 HTR2C (0.55) HTR2CHTR6MTNR1AMTNR1BMAPK1
SCHEMBL7163373 0.68 HTR2C (0.76) HTR2CHTR6MTNR1AMTNR1BMAPK1
SCHEMBL905848 0.68 HTR2C (0.78) HTR2CHTR6MTNR1AMTNR1BMAPK1

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 502/4885HTR6 421/4885MTNR1A 320/4885

“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.