SCHEMBL426868

SCHEMBL426868

COc1cccc(CN(C)C(=O)n2nnc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 4/20 0.53
MGAM O43451 2/20 0.51
AMY1A P0DUB6 2/20 0.51
GAA P10253 2/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
PTK2 Q05397 1/20 0.48
TSPO P30536 4/20 0.48
HSD17B2 P37059 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
HCAR3 P49019 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL425437 0.84 GAA (0.52) F12MGAMAMY1AGAASI
SCHEMBL426870 0.84 FAAH (0.56) F12MGAMAMY1AGAASI
SCHEMBL425707 0.83 TRPV1 (0.58) F12MGAMAMY1AGAASI
SCHEMBL12648233 0.79 F12 (0.54) F12MGAMAMY1AGAASI
SCHEMBL425705 0.78 MGAM (0.56) F12MGAMAMY1AGAASI
SCHEMBL424474 0.76 MGAM (0.58) F12MGAMAMY1AGAASI
SCHEMBL425444 0.75 F12 (0.65) F12MGAMAMY1AGAASI
SCHEMBL426780 0.75 ASAH1 (0.54) F12MGAMAMY1AGAASI
SCHEMBL15831230 0.74 MEN1 (0.62) GAAPOLBHPGDRECQLHSD17B2
SCHEMBL426846 0.73 ASAH1 (0.58) F12MGAMAMY1AGAASI

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
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 F12 785/4885MGAM 1034/4885AMY1A 955/4885

“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.