SCHEMBL23744472

SCHEMBL23744472

COc1ccc2nc(N3C[C@@H](C)N(C(=O)OC4CCN(Cc5ccncc5)CC4)C[C@@H]3C)cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
CCR8 P51685 4/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHEK2 O96017 1/20 0.35
CHRM4 P08173 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
SCHEMBL23744486 0.93 HCAR2 (0.42) CCR8HCAR2ALDH1A1KDM4EHPGD
SCHEMBL23744584 0.93 HCAR2 (0.42) CCR8HCAR2ALDH1A1KDM4EHPGD
SCHEMBL23744736 0.92 PRKAA2 (0.41) HRH3KDM4E
SCHEMBL23744471 0.91 CHRM4 (0.38) HCAR2CHRM4
SCHEMBL23744740 0.90 CHEK2 (0.45) CHEK2CHRM4
SCHEMBL26429701 0.89 CYP2C9 (0.36) HRH3HCAR2CYP3A4CYP2D6CYP2C9
SCHEMBL26435008 0.86 HRH3 (0.43) HRH3CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL23744724 0.85 CHRM2 (0.39) HCAR2CHRM4
SCHEMBL23744451 0.83 HCAR2 (0.44) HCAR2CHRM4
SCHEMBL23744259 0.83 HCAR2 (0.51) HCAR2CHRM4

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 HRH3 104/4885CCR8 930/4885HCAR2 76/4885

“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.