SCHEMBL23744657

SCHEMBL23744657

C[C@@H]1CN(c2nc3ccccc3s2)[C@@H](C)CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CRBN Q96SW2 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC11A2 P49281 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
SCHEMBL30345540 0.82 NPC1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30345371 0.82 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23744650 0.82 NPC1 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23744490 0.82 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10219137 0.82 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23744492 0.80 MAPT (0.52) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10219141 0.79 PPARD (0.49) CYP2D6PPARG
SCHEMBL23744648 0.79 NR1H2 (0.44) NPSR1KMT2AMAPT
SCHEMBL23744493 0.79 PPARD (0.49) CYP2D6PPARG
SCHEMBL30345543 0.79 NR1H2 (0.44) NPSR1KMT2AMAPT

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 RAB9A 3190/4885NPC1 1236/4885SMN1; 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.