SCHEMBL23744129

SCHEMBL23744129

COc1ccc2nc(N3CCN(C(=O)NC4CCN(Cc5ccccc5)CC4)[C@H](C)C3)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 10/20 0.52
CHRM2 P08172 3/20 0.52
CHRM1 P11229 3/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 5/20 0.49
MCHR1 Q99705 1/20 0.48

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 0.91 KDM4E (0.52) CHRM4CHRM2CHRM1KDM4EALDH1A1
SCHEMBL23744733 0.91 KDM4E (0.52) CHRM4CHRM2CHRM1KDM4EALDH1A1
SCHEMBL26087104 0.90 CHRM2 (0.45) CHRM4CHRM2CHRM1
SCHEMBL23744126 0.90 CHRM4 (0.58) CHRM4CHRM2CHRM1
SCHEMBL23744545 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10SIGMAR1
SCHEMBL23744522 0.87 CHRM2 (0.60) CHRM4CHRM2CHRM1
SCHEMBL23744637 0.80 CHRM4 (0.45) CHRM4CHRM2CHRM1KDM4EALDH1A1
SCHEMBL23744527 0.79 CHRM4 (0.52) CHRM4CHRM2CHRM1ALDH1A1SIGMAR1
SCHEMBL23744726 0.79 CHRM4 (0.52) CHRM4CHRM2CHRM1ALDH1A1SIGMAR1
SCHEMBL26087163 0.79 HCAR2 (0.44) CHRM4CHRM2CHRM1KDM4EALDH1A1

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 CHRM4 1/4885CHRM2 2/4885CHRM1 5/4885

“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.