SCHEMBL4159172

SCHEMBL4159172

O=C(NC1CCCC1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.79
TAS1R1 Q7RTX1 6/20 0.79
TAS1R2 Q8TE23 6/20 0.79
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 4/20 0.53
EPHX1 P07099 5/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
EPHX2 P34913 1/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL13927784 0.98 TAS1R3 (0.80) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL31290293 0.96 TAS1R3 (0.73) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL4170336 0.91 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL702785 0.89 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL12172886 0.87 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL702093 0.87 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL702782 0.87 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL703018 0.87 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL12189824 0.86 TAS1R3 (0.84) TAS1R3TAS1R1TAS1R2NPC1SMN1; SMN2
SCHEMBL4170527 0.82 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047379-A1 Benzamide Compounds Useful as High Potency Sweet Taste Enhancers DEWIS MARK L 2009-02-19 US disclosed
US-20090047379-A1 Benzamide Compounds Useful as High Potency Sweet Taste Enhancers DEWIS MARK L 2009-02-19 US disclosed
US-20090047379-A1 Benzamide Compounds Useful as High Potency Sweet Taste Enhancers DEWIS MARK L 2009-02-19 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-20090047379-A1 Benzamide Compounds Useful as High Potency Sweet Taste Enhancers TAS2R10, TAS2R50, TAS2R8 TAS1R3 27/4885TAS1R1 23/4885TAS1R2 11/4885

“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.