SCHEMBL3219218

SCHEMBL3219218

COc1cccc2c1CCCC2NC(=O)N(S)CCO

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.60
TAS1R1 Q7RTX1 5/20 0.60
TAS1R2 Q8TE23 3/20 0.60
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
DRD4 P21917 1/20 0.52
ACHE P22303 1/20 0.48

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
SCHEMBL1999696 0.82 TRPV1 (0.44) TAS1R3TAS1R1TAS1R2DRD4ACHE
SCHEMBL1565272 0.79 DRD4 (0.64) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL1564910 0.78 TAS1R3 (0.65) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL3210493 0.78 ALDH1A1 (0.62) TAS1R3TAS1R1TAS1R2
SCHEMBL3209924 0.77 PDE10A (0.41) TAS1R3TAS1R1TAS1R2ACHE
SCHEMBL4475562 0.77 DRD4 (0.62) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL3219949 0.77 ALDH1A1 (0.53) TAS1R3TAS1R1TAS1R2
SCHEMBL5923920 0.76 TAS1R3 (0.87) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL4475437 0.76 DRD4 (0.61) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL3730549 0.75 TAS1R3 (0.80) TAS1R3TAS1R1TAS1R2

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-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 TAS1R3 816/4885TAS1R1 527/4885TAS1R2 1005/4885

“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.