SCHEMBL10078442

SCHEMBL10078442

COc1ccc2c(C(=O)OCC3(C)CCN(C)CC3)c[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10078289 0.89 — —
SCHEMBL10078275 0.84 ALDH1A1 (0.57) ALDH1A1NPC1
SCHEMBL592241 0.83 — —
SCHEMBL10078440 0.82 NR4A2 (0.44) —
SCHEMBL591235 0.81 — —
SCHEMBL10078280 0.81 — —
SCHEMBL10077938 0.80 NR4A2 (0.55) —
SCHEMBL31451463 0.77 MAPT (0.67) MAPTALDH1A1ALOX15KDM4ENPC1
SCHEMBL10078441 0.75 CYP2C19 (0.41) —
SCHEMBL592113 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114891-B2 4-substituted quinuclidine derivatives, methods of production, pharmaceutical uses thereof COMENTIS, INC. (US) 2012-02-14 — — US disclosed
US-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF COMENTIS, INC. (US) 2009-04-02 — — US 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-20090088418-A1 4-SUBSTITUTED QUINUCLIDINE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRNA7, CHRNA5, CHRNA4 MAPT 1529/4885ALDH1A1 949/4885ALOX15 3759/4885

“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.

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