SCHEMBL426191

SCHEMBL426191

CC(=O)N1CCC(N(C)C(=O)n2cnc(-c3ccc(O)cc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
CES2 O00748 1/20 0.51
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
JAK3 P52333 1/20 0.40
NPY5R Q15761 3/20 0.39
KIF11 P52732 1/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
MAP4K4 O95819 1/20 0.38
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
MCHR1 Q99705 3/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL426222 0.88 MCHR1 (0.49) FAAHCES2ACACBACACAMCHR1
SCHEMBL427874 0.87 FAAH (0.64) FAAHCES2MKNK1MKNK2ALDH1A1
SCHEMBL425914 0.86 FAAH (0.66) FAAHCES2ALDH1A1
SCHEMBL426151 0.85 GPR119 (0.53)
SCHEMBL427505 0.85 FAAH (0.52) FAAHCES2NPY5RKIF11MAP3K7
SCHEMBL428013 0.84 FAAH (0.53) FAAHCES2KIF11MCHR1ALDH1A1
SCHEMBL427732 0.84 FAAH (0.53) FAAHCES2MKNK1MKNK2MCHR1
Bromide SCHEMBL16432654 0.83 FAAH (0.52) FAAHCES2KIF11MCHR1ALDH1A1
SCHEMBL16432677 0.82 FAAH (0.47) FAAHCES2MAP4K4MCHR1
SCHEMBL12473853 0.81 FAAH (0.58) FAAHCES2ACACBACACANPY5R

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 62/4885MKNK1 4078/4885

“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.