SCHEMBL428184

SCHEMBL428184

CN(C(=O)n1cnc(-c2cc[n+]([O-])cc2)c1)C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.78
CES2 O00748 1/20 0.78
POLB P06746 2/20 0.39
USP19 O94966 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
TRPA1 O75762 1/20 0.37
MGLL Q99685 1/20 0.37
S1PR1 P21453 1/20 0.36
ATM Q13315 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL17787280 0.89 FAAH (0.70) FAAHCES2POLBUSP19NPC1
SCHEMBL426165 0.89 FAAH (0.63) FAAHCES2USP19NPC1RAB9A
SCHEMBL427970 0.88 FAAH (1.00) FAAHCES2POLBUSP19NPC1
SCHEMBL29683887 0.88 FAAH (1.00) FAAHCES2POLBUSP19NPC1
SCHEMBL426010 0.87 FAAH (0.98) FAAHCES2POLBUSP19NPC1
SCHEMBL424383 0.85 FAAH (0.74) FAAHCES2POLBUSP19NPC1
SCHEMBL425914 0.84 FAAH (0.66) FAAHCES2POLBUSP19NPC1
SCHEMBL426128 0.84 FAAH (0.66) FAAHCES2POLBUSP19NPC1
SCHEMBL14950289 0.84 FAAH (0.66) FAAHCES2POLBUSP19NPC1
SCHEMBL425056 0.83 FAAH (0.65) FAAHCES2POLBUSP19NPC1

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 62/4885POLB 2792/4885

“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.