SCHEMBL23744770

SCHEMBL23744770

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.43
BCL6 P41182 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
SCN9A Q15858 1/20 0.41
CYP2D6 P10635 1/20 0.36
SIGMAR1 Q99720 7/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD2 P14416 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL23744157 0.83 PTPN11 (0.44) PTPN11BCL6NCOR2SCN9A
SCHEMBL23744047 0.81 PTPN11 (0.51) PTPN11BCL6NCOR2SCN9A
SCHEMBL15725788 0.81 PTPN11 (0.49) PTPN11BCL6NCOR2SCN9ASIGMAR1
SCHEMBL23744086 0.81 PTPN11 (0.43) PTPN11BCL6NCOR2SCN9AWDR5
SCHEMBL24945764 0.81 PTPN11 (0.43) PTPN11BCL6NCOR2SCN9A
SCHEMBL23744751 0.81 PTPN11 (0.51) PTPN11BCL6NCOR2SCN9A
SCHEMBL23727544 0.81 EIF2AK4 (0.44) PTPN11BCL6NCOR2SCN9A
SCHEMBL24963692 0.81 HTT (0.43) CYP2D6DRD2
SCHEMBL18825871 0.81 EIF2AK4 (0.44) PTPN11BCL6NCOR2SCN9A
SCHEMBL2247881 0.81 HTT (0.43) CYP2D6DRD2

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 PTPN11 1801/4885BCL6 4736/4885NCOR2 1909/4885

“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.