SCHEMBL31433355

SCHEMBL31433355

CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2cccc(OC(F)(F)F)c2)C[C@@H]1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
HCRTR2 O43614 4/20 0.41
SCN9A Q15858 4/20 0.40
DPP4 P27487 2/20 0.38
DHODH Q02127 1/20 0.38
FFAR1 O14842 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL23639040 1.00 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL23140797 0.86 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2HCRTR2SCN9A
SCHEMBL21306626 0.86 MAOB (0.42) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL29481962 0.86 MAOB (0.42) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL21294962 0.86 MAOB (0.42) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL20063742 0.86 MAOB (0.42) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL29481964 0.86 MAOB (0.42) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL31433447 0.84 SCN9A (0.51) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL23639065 0.84 SCN9A (0.51) TAS1R3TAS1R1TAS1R2KDM1AMAOB
SCHEMBL23140838 0.76 NOTUM (0.40) TAS1R3TAS1R1TAS1R2HCRTR2FFAR1

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-20250115576-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2025-04-10 US disclosed
US-12209075-B2 Pyridine-sulfonamide derivatives as sodium channel inhibitors GENENTECH, INC. (US) 2025-01-28 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-12209075-B2 Pyridine-sulfonamide derivatives as sodium channel inhibitors SCN1B, CACNA1A, SCN1A TAS1R3 254/4885TAS1R1 266/4885TAS1R2 255/4885
US-20250115576-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF F12, REN, ZYX TAS1R3 2698/4885TAS1R1 2258/4885TAS1R2 2679/4885

“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.