SCHEMBL23744769

SCHEMBL23744769

C[C@@H]1CN(c2nc3cc(F)ncc3s2)C[C@H](C)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HRH3 Q9Y5N1 4/20 0.36
KCNH2 Q12809 3/20 0.36
PDE10A Q9Y233 4/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
PTPN11 Q06124 2/20 0.33
BCL6 P41182 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
NAAA Q02083 1/20 0.33
MITF O75030 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
CNR2 P34972 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL30345599 0.83 RAB9A (0.40) NPC1RAB9ASMN1; SMN2HRH3KCNH2
SCHEMBL23744715 0.83 RAB9A (0.40) NPC1RAB9ASMN1; SMN2HRH3KCNH2
SCHEMBL30345677 0.83 RAB9A (0.40) NPC1RAB9ASMN1; SMN2HRH3KCNH2
SCHEMBL23744730 0.83 RAB9A (0.40) NPC1RAB9ASMN1; SMN2HRH3KCNH2
SCHEMBL30345565 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL30345641 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL23744375 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL23744366 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL10271172 0.80 ILK (0.41) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL23744759 0.78 NPC1 (0.62) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1

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 NPC1 1236/4885RAB9A 3190/4885SMN1; SMN2 1135/4885

“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.