SCHEMBL23744733

SCHEMBL23744733

COc1ccc2nc(N3C[C@@H](C)N(C(=O)NC4CCN(Cc5ccccc5)CC4)[C@@H](C)C3)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SIGMAR1 Q99720 6/20 0.51
CHRM4 P08173 4/20 0.49
MCHR1 Q99705 3/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
CHRM5 P08912 1/20 0.48
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.48
DRD4 P21917 1/20 0.47

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
SCHEMBL23744528 1.00 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10SIGMAR1
SCHEMBL23744129 0.91 CHRM4 (0.52) KDM4EALDH1A1HPGDHSD17B10SIGMAR1
SCHEMBL23744728 0.89 HCAR2 (0.57) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744544 0.89 HCAR2 (0.57) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744527 0.89 CHRM4 (0.52) ALDH1A1SIGMAR1CHRM4MCHR1CHRM2
SCHEMBL23744726 0.89 CHRM4 (0.52) ALDH1A1SIGMAR1CHRM4MCHR1CHRM2
SCHEMBL26089334 0.88 HCAR2 (0.44) KDM4EALDH1A1HPGDHSD17B10SIGMAR1
SCHEMBL26087163 0.88 HCAR2 (0.44) KDM4EALDH1A1HPGDHSD17B10SIGMAR1
SCHEMBL23744463 0.87 CHRM2 (0.55) SIGMAR1CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744464 0.87 CHRM2 (0.55) SIGMAR1CHRM4CHRM2CHRM1CHRM3

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 2 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
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 KDM4E 2192/4885ALDH1A1 1378/4885HPGD 1630/4885

“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.