SCHEMBL446612

SCHEMBL446612

CN(C(=O)n1cnc(-c2ccc(C#N)cc2)c1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.61
CES2 O00748 1/20 0.61
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
EGLN1 Q9GZT9 2/20 0.41
KDM1A O60341 1/20 0.40
MCHR1 Q99705 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
ITK Q08881 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
HSD11B1 P28845 2/20 0.39
TRPA1 O75762 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.38
MAP4K4 O95819 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
USP19 O94966 1/20 0.38
S1PR1 P21453 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL527433 0.89 FAAH (0.63) FAAHCES2MKNK1MKNK2MCHR1
SCHEMBL14937650 0.88 FAAH (0.61) FAAHCES2MKNK1MKNK2KDM1A
SCHEMBL427671 0.87 FAAH (0.55) FAAHCES2MKNK1MKNK2USP19
SCHEMBL425914 0.86 FAAH (0.66) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL14950289 0.86 FAAH (0.66) FAAHCES2MCHR1TRPV1TRPA1
SCHEMBL425811 0.85 FAAH (0.65) FAAHCES2MCHR1TRPV1HSD11B1
SCHEMBL425056 0.85 FAAH (0.65) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL425807 0.85 FAAH (0.65) FAAHCES2TRPV1TRPA1MGLL
SCHEMBL14950186 0.84 FAAH (0.64) FAAHCES2MCHR1TRPV1TRPA1
SCHEMBL424383 0.84 FAAH (0.74) 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 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-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
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP 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 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.