SCHEMBL425482

SCHEMBL425482

CN(C(=O)n1nnc2ccc(-c3cccc(C(N)=O)c3)cc21)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
MGLL Q99685 3/20 0.44
TRPA1 O75762 2/20 0.43
FAAH O00519 4/20 0.41
EPHX2 P34913 1/20 0.41
FAAH2 Q6GMR7 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
MAP4K4 O95819 1/20 0.40
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL426744 0.92 TRPV1 (0.47) TRPV1MGLLTRPA1FAAHEPHX2
SCHEMBL426739 0.83 TRPV1 (0.50) TRPV1MGLLTRPA1FAAHPOLB
SCHEMBL424386 0.83 TRPV1 (0.48) TRPV1MGLLTRPA1POLBALDH1A1
SCHEMBL427875 0.82 HCAR3 (0.46) TRPV1POLBALDH1A1KMT2AKDM4E
SCHEMBL427404 0.81 HCAR3 (0.44) TRPV1POLBALDH1A1KMT2AKDM4E
SCHEMBL424342 0.80 TRPV1 (0.53) TRPV1MGLLTRPA1FAAHPOLB
SCHEMBL425717 0.79 TRPV1 (0.45) TRPV1MGLLTRPA1FAAHPOLB
SCHEMBL424622 0.78 KMT2A (0.51) TRPV1MGLLTRPA1FAAHALDH1A1
SCHEMBL424376 0.76 TRPV1 (0.46) TRPV1MGLLTRPA1FAAHPOLB
SCHEMBL425885 0.75 FAAH (0.63) TRPV1MGLLTRPA1FAAHEPHX2

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 TRPV1 165/4885MGLL 11/4885TRPA1 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.