SCHEMBL426739

SCHEMBL426739

CN(C(=O)n1nnc2cc(-c3cccc(C(=O)O)c3)ccc21)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
HCAR3 P49019 6/20 0.46
TRPA1 O75762 1/20 0.46
MGLL Q99685 1/20 0.46
KCNMA1 Q12791 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
ALOX5AP P20292 1/20 0.39
PDE7A Q13946 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
USP2 O75604 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
SCHEMBL426744 0.91 TRPV1 (0.47) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL424376 0.84 TRPV1 (0.46) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL427316 0.83 TRPV1 (0.48) TRPV1HCAR3TRPA1MGLLKCNMA1
SCHEMBL425482 0.83 TRPV1 (0.47) TRPV1TRPA1MGLLALDH1A1MEN1
SCHEMBL427875 0.79 HCAR3 (0.46) TRPV1HCAR3ALDH1A1POLBKMT2A
SCHEMBL425471 0.79 TRPV1 (0.44) TRPV1HCAR3TRPA1MGLLALDH1A1
SCHEMBL424342 0.78 TRPV1 (0.53) TRPV1TRPA1MGLLKCNMA1ALDH1A1
SCHEMBL7899251 0.78 TRPV1 (0.43) TRPV1HCAR3TRPA1MGLLALDH1A1
SCHEMBL427404 0.78 HCAR3 (0.44) TRPV1HCAR3ALDH1A1POLBKMT2A
SCHEMBL427978 0.77 KCNMA1 (0.50) TRPV1TRPA1MGLLKCNMA1ALDH1A1

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 6 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-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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 TRPV1 165/4885HCAR3 81/4885TRPA1 637/4885

“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.