SCHEMBL23744161

SCHEMBL23744161

C[C@@H]1CN(c2ncc(C3CC3)cn2)C[C@H](C)N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.43
PTPN11 Q06124 3/20 0.42
BCL6 P41182 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SLC6A9 P48067 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL15725788 0.84 PTPN11 (0.49) PTPN11BCL6NCOR2SCN9A
SCHEMBL23744157 0.81 PTPN11 (0.44) ACACBPTPN11BCL6NCOR2SCN9A
SCHEMBL23744770 0.80 PTPN11 (0.43) PTPN11BCL6NCOR2SCN9A
SCHEMBL24467741 0.80 CHRNB4 (0.45) ACACB
SCHEMBL23744751 0.80 PTPN11 (0.51) ACACBPTPN11BCL6NCOR2NR1H2
SCHEMBL23744086 0.80 PTPN11 (0.43) PTPN11BCL6NCOR2SCN9A
SCHEMBL24945764 0.80 PTPN11 (0.43) PTPN11BCL6NCOR2SCN9A
SCHEMBL23744047 0.80 PTPN11 (0.51) ACACBPTPN11BCL6NCOR2NR1H2
SCHEMBL24968246 0.79 ACACB (0.46) ACACBBCL6NCOR2NR1H2NR1H3
SCHEMBL23744766 0.77 PTPN11 (0.41) ACACBPTPN11BCL6NCOR2SCN9A

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 8 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
CN-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 CN 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-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 WO disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 WO 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 ACACB 2959/4885PTPN11 1801/4885BCL6 4736/4885

“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.