SCHEMBL30345708

SCHEMBL30345708

C[C@@H]1CN(c2nc3ccc(C(F)(F)F)cc3o2)C[C@H](C)N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
EIF2AK4 Q9P2K8 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
SCN9A Q15858 1/20 0.37
PTGES O14684 1/20 0.36
USP30 Q70CQ3 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
NPBWR1 P48145 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL23744590 1.00 CNR2 (0.41) CNR2HCRTR1HCRTR2EIF2AK4GPR119
SCHEMBL30345568 1.00 CNR2 (0.41) CNR2HCRTR1HCRTR2EIF2AK4GPR119
SCHEMBL23744593 1.00 CNR2 (0.41) CNR2HCRTR1HCRTR2EIF2AK4GPR119
SCHEMBL23744371 0.83 GABRP (0.48) HCRTR1HCRTR2GPR119
SCHEMBL30345649 0.83 GABRP (0.48) HCRTR1HCRTR2GPR119
SCHEMBL23744372 0.83 GABRP (0.48) HCRTR1HCRTR2GPR119
SCHEMBL30345496 0.83 GABRP (0.48) HCRTR1HCRTR2GPR119
SCHEMBL26088732 0.80 HCRTR1 (0.44) HCRTR1HCRTR2EIF2AK4PTGESLMNA
SCHEMBL26089558 0.80 HCRTR1 (0.44) HCRTR1HCRTR2EIF2AK4PTGESLMNA
SCHEMBL30345477 0.79 HRH4 (0.37) HCRTR1HCRTR2GPR119USP30TRPV1

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 CNR2 44/4885HCRTR1 210/4885HCRTR2 183/4885

“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.