SCHEMBL29316575

SCHEMBL29316575

CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2cccc3ncsc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.42
▸ MALT1 Q9UDY8 1/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PTK2 Q05397 1/20 0.34

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
SCHEMBL24513066 0.85 TAS2R14 (0.42) ARMALT1PDE4BPDE4DIRAK4
SCHEMBL29665903 0.85 TAS2R14 (0.42) ARMALT1PDE4BPDE4DIRAK4
SCHEMBL29316483 0.79 AR (0.43) ARPGRTAS2R14KMT2APTK2
SCHEMBL29316555 0.77 AR (0.57) ARPGRDRD3MCHR1
SCHEMBL29319684 0.77 PRMT5 (0.37) MALT1PDE4BPDE4DIRAK4PRMT5
SCHEMBL29316518 0.77 AR (0.44) ARPDE4BPDE4DPGR
SCHEMBL29316564 0.77 AR (0.56) ARPGRADRA2AMCHR1
SCHEMBL29316540 0.76 AR (0.43) ARPGRKMT2A
SCHEMBL29316526 0.75 AR (0.49) ARPDE4BPDE4DPGR
SCHEMBL27027445 0.74 AR (0.49) ARPGRPTK2

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 658/4885MALT1 4367/4885PDE4B 590/4885

“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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