SCHEMBL23744451

SCHEMBL23744451

C[C@@H]1CN(c2cnc3cc(F)ccc3n2)[C@@H](C)CN1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
CHRM4 P08173 11/20 0.43
CCR3 P51677 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
BCHE P06276 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL23744724 0.95 CHRM2 (0.39) HCAR2CHRM4CCR3CHRM2CHRM1
SCHEMBL23744471 0.93 CHRM4 (0.38) HCAR2CHRM4CCR3CHRM2CHRM1
SCHEMBL23744259 0.92 HCAR2 (0.51) HCAR2CHRM4CHRM2CHRM1BCHE
SCHEMBL23744257 0.92 HCAR2 (0.51) HCAR2CHRM4CHRM2CHRM1BCHE
SCHEMBL23744723 0.91 HCAR2 (0.47) HCAR2CHRM4CCR3CHRM2CHRM1
SCHEMBL23744636 0.91 CHRM2 (0.46) HCAR2CHRM4CHRM2CHRM1
SCHEMBL23744486 0.91 HCAR2 (0.42) HCAR2CHRM4BCHE
SCHEMBL23744584 0.91 HCAR2 (0.42) HCAR2CHRM4BCHE
SCHEMBL26429607 0.89 HCAR2 (0.41) HCAR2CHRM4NPC1RAB9A
SCHEMBL23744736 0.88 PRKAA2 (0.41) CCR3

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 HCAR2 76/4885CHRM4 1/4885CCR3 650/4885

“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.