SCHEMBL424910

SCHEMBL424910

CN(C(=O)n1cnc(-c2ccc(O)c(C(N)=O)c2)c1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.57
CES2 O00748 1/20 0.57
CLK1 P49759 6/20 0.41
DYRK1A Q13627 6/20 0.41
HSP90AA1 P07900 5/20 0.39
CHUK O15111 1/20 0.38
ENPP2 Q13822 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
TRPA1 O75762 1/20 0.36
MGLL Q99685 1/20 0.36
USP19 O94966 1/20 0.36

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
SCHEMBL424923 0.90 FAAH (0.46) FAAHCES2CLK1DYRK1ACHUK
SCHEMBL427652 0.87 FAAH (0.59) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL428175 0.87 FAAH (0.55) FAAHCES2HSP90AA1PDE4DPDE7A
SCHEMBL425464 0.86 FAAH (0.58) FAAHCES2HSP90AA1TRPV1TRPA1
SCHEMBL425960 0.86 FAAH (0.62) FAAHCES2PDE4DPDE7ATRPV1
SCHEMBL425023 0.86 DRD3 (0.43) FAAHCES2CLK1DYRK1ACHUK
SCHEMBL427638 0.85 FAAH (0.59) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL425914 0.84 FAAH (0.66) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL427639 0.84 FAAH (0.58) FAAHCES2DYRK1ATRPV1TRPA1
SCHEMBL425056 0.83 FAAH (0.65) FAAHCES2TRPV1TRPA1MGLL

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 62/4885CLK1 3535/4885

“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.