SCHEMBL608095

SCHEMBL608095

COc1ccc2c(c1)CCC[C@H]2NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
TAS1R2 Q8TE23 1/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 4/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.57
MTNR1A P48039 2/20 0.55
MTNR1B P49286 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TAOK1 Q7L7X3 1/20 0.52
TAOK3 Q9H2K8 1/20 0.52

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
SCHEMBL14277944 1.00 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4710772 0.92 CA12 (0.64) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL11602838 0.89 MEN1 (0.57) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL7741751 0.87 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL7743313 0.87 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL9490515 0.83 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL10357271 0.82 CA12 (0.54) TAS1R3TAS1R1TAS1R2ALDH1A1CA12
SCHEMBL16254293 0.81 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL20874508 0.81 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2466357 0.81 MTNR1A (0.62) MTNR1AMTNR1B

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
EP-1592674-B1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2014-03-05 EP disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 TAS1R3 1645/4885TAS1R1 1092/4885TAS1R2 1880/4885

“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.