SCHEMBL23744762

SCHEMBL23744762

COc1ccc2nc(N3C[C@@H](C)N[C@H](C)C3)cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
HCRTR1 O43613 7/20 0.47
HCRTR2 O43614 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NQO2 P16083 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PIK3CA P42336 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL23744761 1.00 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AMAPTHCRTR1
SCHEMBL30345769 0.86 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPTHCRTR1
SCHEMBL23744101 0.86 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPTHCRTR1
SCHEMBL10271537 0.83 PDE10A (0.44) HCRTR1HCRTR2NQO2HRH4PIK3CA
SCHEMBL30345676 0.82 MEN1 (0.43) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL14143557 0.82 HRH4 (0.42) HCRTR1HCRTR2HRH4PIK3CA
SCHEMBL23744193 0.82 MEN1 (0.43) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL30345513 0.82 MEN1 (0.43) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL23744192 0.82 MEN1 (0.43) NPC1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL10219263 0.82 HRH4 (0.61) NPC1RAB9AMAPTHCRTR1HCRTR2

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 ALDH1A1 1378/4885NPC1 1236/4885RAB9A 3190/4885

“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.