SCHEMBL425885

SCHEMBL425885

CN(C(=O)n1cnc(-c2cccc(-c3cccc(C(N)=O)c3)c2)c1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.63
CES2 O00748 1/20 0.63
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
MGLL Q99685 3/20 0.41
TRPA1 O75762 2/20 0.41
EPHX2 P34913 1/20 0.41
FAAH2 Q6GMR7 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FYN P06241 2/20 0.41
TRPV1 Q8NER1 4/20 0.40
CYP11B2 P19099 1/20 0.40
USP19 O94966 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV3 Q8NET8 1/20 0.39

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
SCHEMBL427256 0.98 FAAH (0.65) FAAHCES2PDE4DPDE7AMGLL
SCHEMBL427812 0.94 FAAH (0.61) FAAHCES2PDE4DMGLLTRPA1
SCHEMBL424585 0.89 FAAH (0.67) FAAHCES2MGLLTRPA1TRPV1
SCHEMBL425960 0.88 FAAH (0.62) FAAHCES2PDE4DPDE7AMGLL
SCHEMBL16439278 0.88 FAAH (0.52) FAAHCES2PDE4DFYNKDM1A
SCHEMBL427817 0.87 FAAH (0.65) FAAHCES2PDE4DPDE7AMGLL
SCHEMBL424608 0.87 FAAH (0.65) FAAHCES2MGLLTRPA1TRPV1
Hydrochloric Acid SCHEMBL16432737 0.87 FAAH (0.52) FAAHCES2PDE4DFYNKDM1A
SCHEMBL425803 0.86 FAAH (0.64) FAAHCES2MGLLTRPA1TRPV1
SCHEMBL427164 0.86 FAAH (0.66) FAAHCES2MGLLTRPA1TRPV1

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 62/4885PDE4D 616/4885

“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.