SCHEMBL23744330

SCHEMBL23744330

C[C@@H]1CN(c2ncc(C(=O)N(C)C)cn2)C[C@H](C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.44
HDAC1 Q13547 3/20 0.40
FGFR1 P11362 1/20 0.40
CHRM4 P08173 2/20 0.39
PTPN11 Q06124 3/20 0.38
MLNR O43193 1/20 0.38
BCL6 P41182 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
GHSR Q92847 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
Hydrochloric Acid SCHEMBL23728063 0.99 DGAT2 (0.43) DGAT2HDAC1FGFR1CHRM4PTPN11
SCHEMBL26132430 0.80 CHRM4 (0.44) DGAT2HDAC1CHRM4KMT2AHDAC6
SCHEMBL23744767 0.79 FGFR1 (0.51) HDAC1FGFR1CHRM4BCL6HDAC6
SCHEMBL64025 0.79 HDAC1 (0.43) HDAC1FGFR1BCL6KMT2AHDAC6
SCHEMBL24945764 0.76 PTPN11 (0.43) HDAC1FGFR1PTPN11BCL6
SCHEMBL23744329 0.76 TSHR (0.53) DGAT2HDAC1HDAC6HDAC3HDAC2
SCHEMBL23744157 0.74 PTPN11 (0.44) HDAC1FGFR1PTPN11BCL6TSHR
SCHEMBL23744751 0.73 PTPN11 (0.51) PTPN11BCL6ACACB
SCHEMBL23744086 0.73 PTPN11 (0.43) HDAC1FGFR1PTPN11BCL6
SCHEMBL23744770 0.73 PTPN11 (0.43) PTPN11BCL6CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DGAT2 4258/4885HDAC1 1545/4885FGFR1 1418/4885

“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.