SCHEMBL31492297

SCHEMBL31492297

COc1ccccc1CN1CC2(CC(OC(=O)N3[C@H](C)CN(c4ncc(S(C)(=O)=O)cn4)C[C@@H]3C)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.46
CYP2D6 P10635 14/20 0.43
CYP3A4 P08684 10/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP1A2 P05177 2/20 0.39
TSHR P16473 5/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL31492279 0.88 CHRM2 (0.43) CHRM4CYP2D6
SCHEMBL31492265 0.85 CHRM4 (0.44) CHRM4
SCHEMBL31492294 0.85 CHRM2 (0.42) CHRM4
SCHEMBL31492333 0.84 GPR119 (0.40) CHRM4CYP2D6CYP2C19
SCHEMBL31492336 0.84 GPR119 (0.40) CHRM4
SCHEMBL31492302 0.80 CHRM2 (0.42) CHRM4
SCHEMBL31492305 0.80 CHRM2 (0.42) CHRM4
SCHEMBL31492314 0.79 CHRM2 (0.43) CHRM4
SCHEMBL31492275 0.79 CHRM4 (0.42) CHRM4
SCHEMBL31492266 0.78 CHRM4 (0.42) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092022-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2025-03-20 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-20250092022-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 CHRM4 1/4885CYP2D6 534/4885CYP3A4 269/4885

“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.