SCHEMBL24512973

SCHEMBL24512973

Cc1cccc2[nH]cc(C(=O)N[C@H]3CC[C@@H](Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ CRHR1 P34998 1/20 0.39
▸ BTK Q06187 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ AR P10275 6/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTGES O14684 2/20 0.36

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
SCHEMBL29665854 1.00 TRPA1 (0.41) TRPA1TAS2R14CRHR1BTKMEN1
SCHEMBL24512903 0.86 JAK3 (0.44) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL29665915 0.86 JAK3 (0.44) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL29665884 0.82 TAS2R14 (0.43) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL24513509 0.82 TAS2R14 (0.43) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL24512965 0.80 TRPA1 (0.43) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL29665820 0.80 TRPA1 (0.43) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL24512972 0.80 TRPA1 (0.43) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL29665941 0.80 TRPA1 (0.43) TRPA1TAS2R14MEN1POLBMAPT
SCHEMBL24512922 0.79 TRPA1 (0.42) TRPA1TAS2R14CRHR1BTKJAK3

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 8 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
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 (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-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885TAS2R14 640/4885CRHR1 77/4885
US-20220340530-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 997/4885TAS2R14 640/4885CRHR1 77/4885

“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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