SCHEMBL425960

SCHEMBL425960

CN(C(=O)n1cnc(-c2ccc(C(N)=O)cc2)c1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.62
CES2 O00748 1/20 0.62
POLB P06746 1/20 0.44
MAP4K4 O95819 1/20 0.44
JAK3 P52333 4/20 0.42
LCK P06239 3/20 0.42
HTR6 P50406 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
TRPA1 O75762 1/20 0.39
MGLL Q99685 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MTOR P42345 1/20 0.39
HPGD P15428 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP19 O94966 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL427812 0.93 FAAH (0.61) FAAHCES2POLBMAP4K4JAK3
SCHEMBL427256 0.90 FAAH (0.65) FAAHCES2POLBTRPV1TRPA1
SCHEMBL446704 0.89 FAAH (0.58) FAAHCES2POLBTRPV1TRPA1
SCHEMBL424815 0.89 FAAH (0.58) FAAHCES2POLBTRPV1TRPA1
SCHEMBL16439301 0.89 FAAH (0.50) FAAHCES2MAP4K4JAK3MKNK1
SCHEMBL425056 0.88 FAAH (0.65) FAAHCES2POLBMAP4K4LCK
SCHEMBL425885 0.88 FAAH (0.63) FAAHCES2TRPV1TRPA1MGLL
Hydrochloric Acid SCHEMBL16433029 0.88 FAAH (0.49) FAAHCES2MAP4K4JAK3MKNK1
SCHEMBL14950289 0.87 FAAH (0.66) FAAHCES2POLBTRPV1TRPA1
SCHEMBL425914 0.87 FAAH (0.66) FAAHCES2POLBTRPV1TRPA1

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.