SCHEMBL23744712

SCHEMBL23744712

C[C@@H]1CN(c2ncc3cc(F)ccc3n2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 12/20 0.45
CCR3 P51677 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 2/20 0.40
SIGMAR1 Q99720 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
SCHEMBL26429785 0.89 HCRTR1 (0.38) CHRM4HCRTR1HCRTR2
SCHEMBL23744619 0.88 CHRM4 (0.53) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744565 0.86 CCR3 (0.49) CHRM4CCR3SIGMAR1
SCHEMBL23744451 0.85 HCAR2 (0.44) CHRM4CCR3CHRM2CHRM1
SCHEMBL23744177 0.85 CHRM4 (0.53) CHRM4CCR3HCRTR1HCRTR2CHRM2
SCHEMBL23744225 0.82 CHRM2 (0.56) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744226 0.82 CHRM2 (0.56) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744314 0.82 NAAA (0.48) CHRM4CCR3
SCHEMBL23744631 0.82 NAAA (0.46) CHRM4CCR3CHRM2CHRM1
SCHEMBL23744592 0.81 CHRM4 (0.45) CHRM4CHRM2CHRM1CHRM3

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 CHRM4 1/4885CCR3 650/4885HCRTR1 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.