SCHEMBL5232893

SCHEMBL5232893

c1cc2c(cc1OC1CC1)cc1n2CCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.46
CYP2D6 P10635 5/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL4048826 0.80 HTR2A (0.62) HTR2AHTR2C
SCHEMBL5235419 0.79 HTR2C (0.48) HRH3CYP2D6HTR2AHTR2CCYP3A4
SCHEMBL30819803 0.71 HTR2A (0.39) HTR2AHTR2C
SCHEMBL5229747 0.71 HTR2A (0.39) HTR2AHTR2C
SCHEMBL5234689 0.70 HTR2C (0.43) HRH3CYP2D6HTR2C
SCHEMBL4754991 0.69 HRH3 (0.64) HRH3CYP2D6HTR2AHTR2CCYP3A4
SCHEMBL30703022 0.69 HTR2A (0.64) HTR2AHTR2C
SCHEMBL75184 0.65 HRH3 (0.54) HRH3HTR2A
SCHEMBL30477858 0.64 CYP1A2 (0.50) CYP3A4
SCHEMBL16902878 0.64 CYP1A2 (0.50) CYP3A4

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 HRH3 890/4885CYP2D6 196/4885HTR2A 585/4885

“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.