SCHEMBL426010

SCHEMBL426010

CN(C(=O)n1cnc(-c2ccc[n+]([O-])c2)c1)C1CCCC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.98
CES2 O00748 1/20 0.98
USP19 O94966 4/20 0.42
TRPV1 Q8NER1 2/20 0.37
TRPA1 O75762 1/20 0.37
MGLL Q99685 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4D Q08499 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL29683887 0.99 FAAH (1.00) FAAHCES2USP19TRPV1TRPA1
SCHEMBL427970 0.99 FAAH (1.00) FAAHCES2USP19TRPV1TRPA1
SCHEMBL427437 0.92 FAAH (0.83) FAAHCES2USP19TRPV1TRPA1
SCHEMBL426101 0.91 FAAH (0.81) FAAHCES2USP19HSP90AA1NPC1
SCHEMBL7901851 0.87 FAAH (0.79) FAAHCES2USP19TRPV1TRPA1
SCHEMBL428184 0.87 FAAH (0.78) FAAHCES2USP19TRPV1TRPA1
SCHEMBL428158 0.87 FAAH (0.78) FAAHCES2USP19HSP90AA1RAB9A
SCHEMBL426169 0.86 FAAH (0.75) FAAHCES2USP19HSP90AA1POLB
SCHEMBL426088 0.85 FAAH (0.72) FAAHCES2ALDH1A1HPGDSMN1; SMN2
SCHEMBL424383 0.84 FAAH (0.74) FAAHCES2USP19TRPV1TRPA1

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 4 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-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
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.