SCHEMBL29316526

SCHEMBL29316526

Cn1nccc1C(=O)N[C@H]1CC[C@@H](N(C)c2ccc(C#N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.49
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ PDE4B Q07343 7/20 0.37
▸ PDE4D Q08499 6/20 0.37
▸ PDE4A P27815 4/20 0.37
▸ PDE4C Q08493 4/20 0.37
▸ S1PR1 P21453 1/20 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
SCHEMBL24632331 0.84 AR (0.45) ARNR3C1PGRSMN1; SMN2HSD17B10
SCHEMBL29665818 0.84 AR (0.45) ARNR3C1PGRSMN1; SMN2HSD17B10
SCHEMBL29316555 0.81 AR (0.57) ARPGRSMN1; SMN2HSD17B10S1PR1
SCHEMBL29316564 0.81 AR (0.56) ARPGR
SCHEMBL29316588 0.78 AR (0.66) AR
SCHEMBL29316534 0.78 AR (0.53) ARPGRSMN1; SMN2
SCHEMBL29316518 0.77 AR (0.44) ARPGRPDE4BPDE4DS1PR1
SCHEMBL27027444 0.77 AR (0.44) ARPGRS1PR1
SCHEMBL27027445 0.77 AR (0.49) ARPGRS1PR1
SCHEMBL29316540 0.75 AR (0.43) ARPGR

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 658/4885NR3C1 281/4885PGR 857/4885

“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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