SCHEMBL426165

SCHEMBL426165

CN(C(=O)n1cnc(-c2cc[n+]([O-])cc2)c1)C1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
CES2 O00748 1/20 0.63
TGFBR1 P36897 1/20 0.37
HSD11B1 P28845 1/20 0.34
PDE4B Q07343 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MCHR1 Q99705 6/20 0.33
AOC3 Q16853 2/20 0.33
MAPK1 P28482 1/20 0.32
USP19 O94966 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL428184 0.89 FAAH (0.78) FAAHCES2NPC1RAB9AUSP19
SCHEMBL426101 0.89 FAAH (0.81) FAAHCES2TGFBR1HSD11B1PDE4B
SCHEMBL427868 0.86 FAAH (0.59) FAAHCES2TGFBR1HSD11B1PDE4B
SCHEMBL14950261 0.85 FAAH (0.53) FAAHCES2TGFBR1HSD11B1NPC1
SCHEMBL427732 0.85 FAAH (0.53) FAAHCES2TGFBR1HSD11B1NPC1
SCHEMBL426220 0.85 FAAH (0.53) FAAHCES2TGFBR1HSD11B1MCHR1
SCHEMBL427871 0.84 FAAH (0.52) FAAHCES2TGFBR1PDE4BNPC1
SCHEMBL427361 0.84 FAAH (0.52) FAAHCES2TGFBR1PDE4BCYP46A1
SCHEMBL14937605 0.83 FAAH (0.51) FAAHCES2TGFBR1NPC1RAB9A
SCHEMBL426156 0.82 FAAH (0.50) FAAHCES2NPC1RAB9AMCHR1

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 62/4885TGFBR1 4727/4885

“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.