SCHEMBL23744631

SCHEMBL23744631

C[C@@H]1CN(c2nc3ccc(F)cc3o2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.46
CCR3 P51677 1/20 0.42
KCNH2 Q12809 2/20 0.41
MCHR1 Q99705 2/20 0.41
CHRM4 P08173 3/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 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
SCHEMBL23744627 0.94 CCR3 (0.42) NAAACCR3KCNH2MCHR1CHRM4
SCHEMBL23744695 0.91 CHRM2 (0.42) KCNH2CHRM2CHRM1
SCHEMBL30345666 0.89 NAAA (0.42) NAAAKCNH2MCHR1CHRM4
SCHEMBL26429735 0.89 NAAA (0.42) NAAAKCNH2MCHR1CHRM4
SCHEMBL23744620 0.85 NAAA (0.49) NAAACCR3KCNH2MCHR1CHRM4
SCHEMBL23744629 0.85 NAAA (0.49) NAAACCR3KCNH2MCHR1CHRM4
SCHEMBL26429731 0.83 S1PR1 (0.38) NAAAKCNH2CHRM4
SCHEMBL34463948 0.83 S1PR1 (0.38) NAAAKCNH2CHRM4
SCHEMBL23744712 0.82 CHRM4 (0.45) CCR3CHRM4CHRM2CHRM1
SCHEMBL23744314 0.82 NAAA (0.48) NAAACCR3CHRM4BCHE

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 NAAA 1419/4885CCR3 650/4885KCNH2 302/4885

“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.