SCHEMBL23744158

SCHEMBL23744158

C[C@@H]1CN(c2ncc(OC(F)(F)F)cn2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
PTPN11 Q06124 3/20 0.39
MCHR1 Q99705 4/20 0.39
BCL6 P41182 4/20 0.38
NCOR2 Q9Y618 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.35
FGFR1 P11362 2/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
WDR5 P61964 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
SCHEMBL18825871 0.81 EIF2AK4 (0.44) PTPN11BCL6NCOR2EIF2AK4SCN9A
SCHEMBL23727544 0.81 EIF2AK4 (0.44) PTPN11BCL6NCOR2EIF2AK4SCN9A
SCHEMBL1472626 0.81 MCHR1 (0.46) HDAC1MCHR1EIF2AK4SCN9A
SCHEMBL1472624 0.81 MCHR1 (0.46) HDAC1MCHR1EIF2AK4SCN9A
SCHEMBL26089516 0.80 BCL6 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL29731387 0.79 EIF2AK4 (0.43) PTPN11BCL6NCOR2EIF2AK4SCN9A
SCHEMBL23744766 0.79 PTPN11 (0.41) PTPN11BCL6NCOR2SCN9A
SCHEMBL23744770 0.78 PTPN11 (0.43) PTPN11BCL6NCOR2SCN9AWDR5
SCHEMBL23744725 0.78 NR1H2 (0.41) PTPN11BCL6NCOR2FGFR1SCN9A
SCHEMBL26089312 0.78 NR1H2 (0.41) PTPN11BCL6NCOR2FGFR1SCN9A

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 HDAC3 1708/4885HDAC4 849/4885HDAC1 1545/4885

“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.