SCHEMBL23744486

SCHEMBL23744486

COc1ccc2nc(N3C[C@@H](C)N(C(=O)OC4CCN(Cc5ccccc5)CC4)C[C@H]3C)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR8 P51685 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
CHRM4 P08173 3/20 0.41
ACHE P22303 2/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
BCHE P06276 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL23744584 1.00 HCAR2 (0.42) HCAR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23744736 0.93 PRKAA2 (0.41) KDM4EACHE
SCHEMBL23744472 0.93 HRH3 (0.38) HCAR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23744740 0.91 CHEK2 (0.45) CHRM4
SCHEMBL23744451 0.91 HCAR2 (0.44) HCAR2CHRM4BCHE
SCHEMBL23744259 0.90 HCAR2 (0.51) HCAR2CHRM4BCHE
SCHEMBL23744257 0.90 HCAR2 (0.51) HCAR2CHRM4BCHE
SCHEMBL30345588 0.89 HCAR2 (0.41) HCAR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30345594 0.89 HCAR2 (0.41) HCAR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26429397 0.89 HCAR2 (0.41) HCAR2KDM4EALDH1A1HPGDHSD17B10

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 HCAR2 76/4885KDM4E 2192/4885ALDH1A1 1378/4885

“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.