SCHEMBL427639

SCHEMBL427639

CN(C(=O)n1cnc(-c2ccc(O)c(F)c2)c1)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
CES2 O00748 1/20 0.58
TRPV1 Q8NER1 2/20 0.38
TRPA1 O75762 1/20 0.38
MGLL Q99685 1/20 0.38
USP19 O94966 1/20 0.37
MAPK14 Q16539 1/20 0.36
MIF P14174 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
POLB P06746 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
S1PR1 P21453 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL427638 0.99 FAAH (0.59) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL424688 0.91 FAAH (0.58) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL427883 0.90 FAAH (0.48) FAAHCES2MIFPOLBESR1
SCHEMBL427174 0.90 FAAH (0.59) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL427101 0.90 FAAH (0.61) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL426209 0.88 FAAH (0.46) FAAHCES2MIFESR1ESR2
SCHEMBL7890274 0.87 FAAH (0.58) FAAHCES2MAPK14
SCHEMBL425464 0.87 FAAH (0.58) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL425807 0.86 FAAH (0.65) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL427920 0.86 FAAH (0.55) FAAHCES2POLBKDM4ELMNA

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 62/4885TRPV1 165/4885

“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.