SCHEMBL24512988

SCHEMBL24512988

CNc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ AR P10275 9/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40

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
SCHEMBL29665832 1.00 TRPA1 (0.46) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL24513101 0.94 AR (0.51) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL29665924 0.94 AR (0.51) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL29665891 0.91 AR (0.48) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL24632285 0.91 AR (0.48) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL24512989 0.90 PLA2G7 (0.45) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL29666010 0.90 PLA2G7 (0.45) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL24512799 0.89 AR (0.48) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL24513083 0.89 AR (0.46) TRPA1TAS1R3TAS1R1TAS1R2AR
SCHEMBL24512800 0.89 AR (0.48) TRPA1TAS1R3TAS1R1TAS1R2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — US disclosed
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — US disclosed
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — US disclosed
US-11952346-B2 Modulators of mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2024-04-09 — — US disclosed
EP-4259604-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-18 — — EP disclosed
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2022-10-27 — — US disclosed
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2022-10-27 — — US disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO 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 (3 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-11952346-B2 Modulators of mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885TAS1R3 468/4885TAS1R1 575/4885
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885TAS1R3 468/4885TAS1R1 575/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885TAS1R3 468/4885TAS1R1 575/4885

“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.

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