SCHEMBL26133189

SCHEMBL26133189

C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.54
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ AKR1C3 P42330 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ PPARD Q03181 2/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ME2 P23368 1/20 0.39
▸ ME1 P48163 1/20 0.39
▸ ME3 Q16798 1/20 0.39
▸ GCKR Q14397 2/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL26133615 0.81 NOTUM (0.57) NOTUMCA12CA2CA9TRPV1
SCHEMBL26089740 0.79 CHRM4 (0.48) CHRM2CHRM1PPARDPPARA
SCHEMBL26089090 0.79 CHRM4 (0.48) CHRM2CHRM1PPARDPPARA
SCHEMBL26089332 0.77 L3MBTL1 (0.48) AKR1C3MAPTSMN1; SMN2
SCHEMBL19571014 0.77 NOTUM (0.49) NOTUMCA12CA2CA9AKR1C3
SCHEMBL23728082 0.77 CHRM2 (0.53) TRPV1CHRM2CHRM1HSD11B1
SCHEMBL29165857 0.77 CHRM2 (0.53) TRPV1CHRM2CHRM1HSD11B1
SCHEMBL29165859 0.77 CHRM2 (0.53) TRPV1CHRM2CHRM1HSD11B1
SCHEMBL23727549 0.77 CHRM2 (0.53) TRPV1CHRM2CHRM1HSD11B1
SCHEMBL29165972 0.77 CHRM2 (0.53) TRPV1CHRM2CHRM1HSD11B1

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 NOTUM 882/4885CA12 1087/4885CA2 793/4885

“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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