SCHEMBL26089558

SCHEMBL26089558

C[C@@H]1CN(c2nc3ccc(C(F)(F)F)cc3o2)C[C@H](C)N1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
NAAA Q02083 5/20 0.41
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL26088732 1.00 HCRTR1 (0.44) HCRTR1HCRTR2NAAAPPARGPPARD
SCHEMBL26088587 0.85 NAAA (0.53) HCRTR1HCRTR2NAAA
SCHEMBL26087135 0.85 NAAA (0.53) HCRTR1HCRTR2NAAA
SCHEMBL26090184 0.81 PPARG (0.39) HCRTR1HCRTR2NAAAPPARGPPARD
SCHEMBL23744590 0.80 CNR2 (0.41) HCRTR1HCRTR2PTGESALDH1A1LMNA
SCHEMBL30345708 0.80 CNR2 (0.41) HCRTR1HCRTR2PTGESALDH1A1LMNA
SCHEMBL30345568 0.80 CNR2 (0.41) HCRTR1HCRTR2PTGESALDH1A1LMNA
SCHEMBL23744593 0.80 CNR2 (0.41) HCRTR1HCRTR2PTGESALDH1A1LMNA
SCHEMBL23744691 0.78 CHRM2 (0.45)
SCHEMBL23744474 0.78 CHRM2 (0.45)

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 HCRTR1 210/4885HCRTR2 183/4885NAAA 1419/4885

“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.