SCHEMBL23744627

SCHEMBL23744627

C[C@@H]1CN(c2nc3cc(F)ccc3o2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.42
CHRM4 P08173 3/20 0.41
NAAA Q02083 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL23744631 0.94 NAAA (0.46) CCR3CHRM4NAAACHRM2CHRM1
SCHEMBL26429731 0.89 S1PR1 (0.38) CHRM4NAAAKCNH2
SCHEMBL34463948 0.89 S1PR1 (0.38) CHRM4NAAAKCNH2
SCHEMBL23744695 0.86 CHRM2 (0.42) CHRM2CHRM1KCNH2
SCHEMBL23744630 0.85 CCR3 (0.45) CCR3CHRM4NAAACHRM2CHRM1
SCHEMBL23744628 0.85 CCR3 (0.45) CCR3CHRM4NAAACHRM2CHRM1
SCHEMBL30345666 0.83 NAAA (0.42) CHRM4NAAAKCNH2MCHR1
SCHEMBL26429735 0.83 NAAA (0.42) CHRM4NAAAKCNH2MCHR1
SCHEMBL23744537 0.82 CCR3 (0.42) CCR3CHRM4NAAACHRM2CHRM1
SCHEMBL23744451 0.82 HCAR2 (0.44) CCR3CHRM4CHRM2CHRM1BCHE

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 CCR3 650/4885CHRM4 1/4885NAAA 1419/4885

“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.