SCHEMBL4170336

SCHEMBL4170336

O=C(NC1CC1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.67
TAS1R1 Q7RTX1 7/20 0.67
TAS1R2 Q8TE23 7/20 0.67
POLB P06746 1/20 0.51
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4159172 0.91 TAS1R3 (0.79) TAS1R3TAS1R1TAS1R2POLBHTT
SCHEMBL31290293 0.91 TAS1R3 (0.73) TAS1R3TAS1R1TAS1R2POLBHTT
SCHEMBL4170527 0.90 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2POLBNPC1
SCHEMBL13927784 0.90 TAS1R3 (0.80) TAS1R3TAS1R1TAS1R2HPGDCA12
SCHEMBL702785 0.81 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2POLBHPGD
Bicarbonate SCHEMBL8891706 0.81 POLB (0.63) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL12172886 0.79 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2HPGDNPC1
SCHEMBL702093 0.79 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL702782 0.79 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2POLBHPGD
SCHEMBL703018 0.79 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710287-B Ring-opening boronation reaction method for cyclopropane compound under no metal catalysis 中国科学院兰州化学物理研究所 2024-01-09 CN disclosed
CN-115710287-A Ring-opening boronization reaction method of cyclopropane compound under condition of no metal catalysis 中国科学院兰州化学物理研究所 2023-02-24 CN disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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
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 (2 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 TAS1R3 1388/4885TAS1R1 1154/4885TAS1R2 1117/4885
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.