SCHEMBL23744753

SCHEMBL23744753

C[C@@H]1CN(c2nc3ccc(C(F)(F)F)cc3s2)C[C@@H](C)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARD Q03181 11/20 0.48
PPARG P37231 10/20 0.48
SCN4A P35499 2/20 0.48
EPHX2 P34913 1/20 0.48
CYP2D6 P10635 1/20 0.45
CNR2 P34972 1/20 0.43
DYRK1A Q13627 1/20 0.43
SCN9A Q15858 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10219145 1.00 PPARA (0.48) PPARAPPARDPPARGSCN4AEPHX2
SCHEMBL23744747 1.00 PPARA (0.48) PPARAPPARDPPARGSCN4AEPHX2
SCHEMBL10219138 0.87 PPARD (0.51) PPARAPPARDPPARGSCN4AEPHX2
SCHEMBL10219153 0.87 PPARD (0.51) PPARAPPARDPPARGSCN4AEPHX2
SCHEMBL30345625 0.87 PPARD (0.51) PPARAPPARDPPARGSCN4AEPHX2
SCHEMBL10219158 0.87 PPARD (0.51) PPARAPPARDPPARGSCN4AEPHX2
SCHEMBL23744758 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23744759 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19617845 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30345603 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 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 (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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 PPARA 1138/4885PPARD 721/4885PPARG 833/4885

“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.