SCHEMBL29316588

SCHEMBL29316588

CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2ccc(N3CCOCC3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.66
▸ USP30 Q70CQ3 2/20 0.48
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 2/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ HTR2A P28223 4/20 0.40
▸ DRD3 P35462 4/20 0.40
▸ DRD2 P14416 2/20 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
SCHEMBL29316555 0.86 AR (0.57) ARHTR2ADRD3
SCHEMBL29316564 0.86 AR (0.56) AR
SCHEMBL24632253 0.84 USP30 (0.52) ARUSP30RAF1BRAFSMYD3
SCHEMBL29665883 0.84 USP30 (0.52) ARUSP30RAF1BRAFSMYD3
SCHEMBL29316534 0.82 AR (0.53) AR
SCHEMBL29316248 0.79 USP30 (0.50) ARUSP30SMYD3HTR2ADRD3
SCHEMBL24031880 0.79 AR (0.82) ARUSP30SMYD3
SCHEMBL29316526 0.78 AR (0.49) AR
SCHEMBL27027445 0.78 AR (0.49) AR
SCHEMBL24031878 0.77 AR (0.80) ARUSP30SMYD3

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 1 patent. 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

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-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 AR 658/4885USP30 2321/4885RAF1 728/4885

“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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