SCHEMBL26087221

SCHEMBL26087221

C[C@@H]1CN(c2ccc(C(F)(F)F)nn2)C[C@H](C)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ SLC6A9 P48067 2/20 0.40
▸ KHK P50053 7/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ OGA O60502 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ LCAT P04180 1/20 0.36

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
SCHEMBL26089740 0.80 CHRM4 (0.48) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL26089090 0.80 CHRM4 (0.48) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL12683424 0.79 OGA (0.42) SLC6A9CHRNA7PARP1OGALCAT
SCHEMBL25187820 0.79 KMT2A (0.57) —
SCHEMBL25181015 0.79 HSD11B1 (0.39) HSD11B1CHRNA7CHRM4
SCHEMBL23459168 0.78 CHRM2 (0.54) HSD11B1SLC6A9CHRM2CHRM5CHRM1
SCHEMBL23459164 0.78 CHRM2 (0.54) HSD11B1SLC6A9CHRM2CHRM5CHRM1
SCHEMBL23459171 0.78 CHRM2 (0.54) HSD11B1SLC6A9CHRM2CHRM5CHRM1
SCHEMBL26087229 0.77 RBP4 (0.39) HSD11B1KHKPDE10ACHRM2CHRM5
Hydrochloric Acid SCHEMBL23459169 0.77 CHRM2 (0.53) HSD11B1SLC6A9CHRM2CHRM5CHRM1

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 1 patent. 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

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 HSD11B1 2289/4885SLC6A9 2858/4885KHK 2905/4885

“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.

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