SCHEMBL427437

SCHEMBL427437

CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.83
CES2 O00748 1/20 0.83
USP19 O94966 3/20 0.37
HSP90AA1 P07900 4/20 0.36
AOC3 Q16853 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
PDE4D Q08499 1/20 0.33
MAPK14 Q16539 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
HSP90AB1 P08238 1/20 0.30
TRPV1 Q8NER1 2/20 0.30
TRPA1 O75762 1/20 0.30
MGLL Q99685 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL426010 0.92 FAAH (0.98) FAAHCES2USP19HSP90AA1GPR119
SCHEMBL29683887 0.91 FAAH (1.00) FAAHCES2USP19HSP90AA1TRPV1
SCHEMBL427970 0.91 FAAH (1.00) FAAHCES2USP19HSP90AA1TRPV1
SCHEMBL426101 0.89 FAAH (0.81) FAAHCES2USP19HSP90AA1AOC3
SCHEMBL427995 0.86 FAAH (0.60) FAAHCES2USP19HSP90AA1AOC3
SCHEMBL426169 0.85 FAAH (0.75) FAAHCES2USP19HSP90AA1
SCHEMBL426088 0.83 FAAH (0.72) FAAHCES2
SCHEMBL427890 0.81 FAAH (0.55) FAAHCES2USP19HSP90AA1AOC3
SCHEMBL7901851 0.79 FAAH (0.79) FAAHCES2USP19TRPV1TRPA1
SCHEMBL425904 0.79 FAAH (0.66) FAAHCES2HSP90AA1PDE4D

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885USP19 744/4885

“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.