SCHEMBL1633286

SCHEMBL1633286

O=C(O)c1cccc(CC2CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.60
GRIK1 P39086 2/20 0.54
FOLH1 Q04609 1/20 0.50
PPM1D O15297 1/20 0.49
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
ACP1 P24666 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL4974021 0.87 OPRM1 (0.56) GBA1GRIK1ITGB3ITGA2BOPRM1
Hydrochloric Acid SCHEMBL6393378 0.85 OPRM1 (0.55) GBA1GRIK1ITGB3ITGA2BOPRM1
SCHEMBL9005670 0.84 PPM1D (0.64) GRIK1FOLH1PPM1DMRGPRX4CYP2D6
SCHEMBL9005566 0.84 PPM1D (0.64) GRIK1FOLH1PPM1DMRGPRX4CYP2D6
SCHEMBL17595529 0.83 LOXL2 (0.55) GBA1PPM1DMRGPRX4HIF1ASMYD3
SCHEMBL6399782 0.83 L3MBTL1 (0.54) ITGB3ITGA2BSMYD3
SCHEMBL23684547 0.82 GRIK1 (0.51) GRIK1FOLH1PPM1DMRGPRX4CYP2D6
Hydrochloric Acid SCHEMBL6399092 0.82 L3MBTL1 (0.53) ITGB3ITGA2BSMYD3
SCHEMBL6260511 0.81 GBA1 (0.62) GBA1GRIK1
Hydrochloric Acid SCHEMBL6153782 0.80 GBA1 (0.61) GBA1GRIK1CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
EP-1957075-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-08-20 EP disclosed
WO-2006055553-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-05-26 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 GBA1 4021/4885GRIK1 102/4885FOLH1 659/4885

“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.