SCHEMBL23744155

SCHEMBL23744155

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)[C@@H](C)CN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.61
CHRM1 P11229 5/20 0.61
CHRM3 P20309 2/20 0.51
CHRM4 P08173 7/20 0.51
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
TEAD1 P28347 1/20 0.46
PRKAA2 P54646 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
CCR2 P41597 1/20 0.45

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
SCHEMBL23744543 0.93 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRM4UBE2M
SCHEMBL23744508 0.92 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRM4SIGMAR1
SCHEMBL23744245 0.92 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRM4SIGMAR1
SCHEMBL23744506 0.92 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRM4SIGMAR1
SCHEMBL23744149 0.88 CHRM1 (0.78) CHRM2CHRM1CHRM3CHRM4
SCHEMBL26090322 0.87 CHRM2 (0.51) CHRM2CHRM1CHRM3CHRM4CCR2
SCHEMBL23744160 0.87 CHRM2 (0.58) CHRM2CHRM3CHRM4PRKAA2
SCHEMBL23744180 0.85 CHRM2 (0.57) CHRM2CHRM1CHRM3CHRM4PRKAA2
SCHEMBL23744563 0.85 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRM4UBE2M
SCHEMBL23744299 0.84 CHRM2 (0.65) CHRM2CHRM1CHRM3CHRM4

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 CHRM2 2/4885CHRM1 5/4885CHRM3 4/4885

“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.