SCHEMBL23744804

SCHEMBL23744804

C[C@@H]1CN(c2cnc3cc(C(F)(F)F)ccc3n2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
MCHR1 Q99705 2/20 0.41
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
MET P08581 3/20 0.40
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRB1 P08588 1/20 0.40
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
USP30 Q70CQ3 1/20 0.39
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38

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
SCHEMBL30345518 1.00 SCN9A (0.42) SCN9AMCHR1ADRB2NCF1MET
SCHEMBL10219265 0.87 EIF2AK4 (0.48) SCN9AMCHR1METHRH4HRH3
SCHEMBL30345597 0.87 EIF2AK4 (0.48) SCN9AMCHR1METHRH4HRH3
SCHEMBL23744750 0.87 EIF2AK4 (0.48) SCN9AMCHR1METHRH4HRH3
SCHEMBL15542779 0.87 SCN9A (0.45) SCN9AADRB2NCF1METHRH4
SCHEMBL23744797 0.84 ACVR1 (0.47) MCHR1HRH4PRKCQPRKCD
SCHEMBL23744803 0.81 MCHR1 (0.42) SCN9AMCHR1METHRH3USP30
SCHEMBL30345740 0.81 MCHR1 (0.42) SCN9AMCHR1METHRH3USP30
SCHEMBL23744101 0.80 NPC1 (0.48) MCHR1NCF1HRH4HRH3PRKCQ
SCHEMBL30345769 0.80 NPC1 (0.48) MCHR1NCF1HRH4HRH3PRKCQ

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 SCN9A 1057/4885MCHR1 134/4885ADRB2 43/4885

“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.