SCHEMBL26429682

SCHEMBL26429682

COc1ccc2nc(N3C[C@@H](C)N(C(=O)OC4CC5(C4)CN(Cc4ccc(C(N)=O)cc4)C5)[C@@H](C)C3)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.40
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
HPGDS O60760 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
CXCR3 P49682 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL26429662 0.91 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL26429632 0.91 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1
SCHEMBL26429699 0.90 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1
SCHEMBL26434902 0.89 CHEK2 (0.46) CHEK2HCRTR1HCRTR2CXCR3
SCHEMBL26429677 0.89 HSD11B1 (0.38) CHEK2HCRTR2CXCR3
SCHEMBL26429683 0.87 CHEK2 (0.39) CHEK2HPGDSOPRM1OPRK1
SCHEMBL23744207 0.81 HCAR2 (0.48) HCRTR1HCRTR2
SCHEMBL26429428 0.81 HCAR2 (0.48) HCRTR1HCRTR2
SCHEMBL30345448 0.81 HCAR2 (0.40) HCRTR1HCRTR2
SCHEMBL30073609 0.81 HCAR2 (0.40) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP claimed
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
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
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US 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 CHEK2 1536/4885HCRTR1 210/4885HCRTR2 183/4885

“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.