SCHEMBL29316483

SCHEMBL29316483

CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[C@@H](NC(=O)c2cccc3[nH]ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BRD4 O60885 3/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ DHPS P49366 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ PTGES O14684 3/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 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
SCHEMBL29316540 0.89 AR (0.43) ARL3MBTL1PGRJAK2JAK3
SCHEMBL29665884 0.84 TAS2R14 (0.43) ARL3MBTL1BRD4ABCB11BRD2
SCHEMBL24513509 0.84 TAS2R14 (0.43) ARL3MBTL1BRD4ABCB11BRD2
SCHEMBL29316688 0.81 BRD4 (0.43) ARL3MBTL1BRD4ABCB11BRD2
SCHEMBL29316575 0.79 AR (0.42) ARPGRPTK2TAS2R14KMT2A
SCHEMBL29316555 0.79 AR (0.57) ARPGR
SCHEMBL29316564 0.78 AR (0.56) ARPGR
SCHEMBL29316534 0.75 AR (0.53) ARL3MBTL1PGRPTK2KMT2A
SCHEMBL29316526 0.74 AR (0.49) ARPGRATM
SCHEMBL24512903 0.73 JAK3 (0.44) ARL3MBTL1JAK3TAS2R14KMT2A

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 658/4885L3MBTL1 4417/4885BRD4 1065/4885

“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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