SCHEMBL23744104

SCHEMBL23744104

C[C@@H]1CN(c2ncc3ccccc3n2)[C@@H](C)CN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HDAC1 Q13547 1/20 0.40
PDE10A Q9Y233 8/20 0.40
PIM1 P11309 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL30345527 1.00 HTR3A (0.46) HTR3AHRH4ROCK2ROCK1HDAC1
SCHEMBL23744100 0.82 ROCK2 (0.44) ROCK2ROCK1PDE10APIM1AKT1
SCHEMBL30345601 0.82 ROCK2 (0.44) ROCK2ROCK1PDE10APIM1AKT1
SCHEMBL6772660 0.78 HDAC1 (0.44) HTR3AHRH4HDAC1PDE10APIM1
SCHEMBL6772656 0.78 HDAC1 (0.44) HTR3AHRH4HDAC1PDE10APIM1
SCHEMBL6772654 0.78 HDAC1 (0.44) HTR3AHRH4HDAC1PDE10APIM1
SCHEMBL5786806 0.77 ALDH1A1 (0.51)
SCHEMBL13666118 0.77 HCAR2 (0.46) HTR3AHRH4ROCK2ROCK1HDAC1
SCHEMBL23744105 0.77 HTR3A (0.57) HTR3AHRH4ROCK2PDE10AHCRTR1
SCHEMBL30345684 0.77 HTR3A (0.57) HTR3AHRH4ROCK2PDE10AHCRTR1

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 HTR3A 215/4885HRH4 25/4885ROCK2 2599/4885

“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.