SCHEMBL3209068

SCHEMBL3209068

CCC(CCN)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CYP3A4 P08684 1/20 0.31
GABRR1 P24046 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28919265 0.87 GABBR2 (0.33) GABBR2GABBR1CYP3A4
SCHEMBL10309264 0.79 TSHR (0.32)
SCHEMBL10136491 0.78
SCHEMBL28024615 0.77 ALDH1A1 (0.37) CYP3A4ALDH1A1TDP1
SCHEMBL6574355 0.76 GABBR2 (0.39) GABBR2GABBR1GABRR1
SCHEMBL28024653 0.75 OPRM1 (0.44)
SCHEMBL5107616 0.75
SCHEMBL17683796 0.74
SCHEMBL10075687 0.74
SCHEMBL10730624 0.74

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
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C GABBR2 450/4885GABBR1 407/4885CYP3A4 327/4885

“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.