SCHEMBL26435008

SCHEMBL26435008

COc1ccc2nc(N3C[C@@H](C)N(C(=O)OC4CCN(Cc5ccncc5)CC4)[C@@H](C)C3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
CHRM4 P08173 4/20 0.40
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL23744637 0.93 CHRM4 (0.45) HRH3CHRM4HCRTR1HCRTR2CHRM2
SCHEMBL23744735 0.92 HRH3 (0.43) HRH3CHRM4HCRTR1HCRTR2CHRM2
SCHEMBL26434902 0.90 CHEK2 (0.46) HRH3CHRM4HCRTR1HCRTR2
SCHEMBL26429699 0.88 HCRTR1 (0.38) HRH3CHRM4HCRTR1HCRTR2CYP3A4
SCHEMBL23744472 0.86 HRH3 (0.38) HRH3CHRM4CYP3A4CYP2C9TSHR
SCHEMBL23744655 0.83 CHRM4 (0.47) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL23744456 0.83 CHRM4 (0.47) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL23744206 0.82 NPC1 (0.54) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL23744256 0.82 NPC1 (0.54) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL26429662 0.82 HCRTR1 (0.37) HRH3CHRM4HCRTR1HCRTR2

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-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 HRH3 104/4885CHRM4 1/4885HCRTR1 210/4885

“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.