SCHEMBL18616623

SCHEMBL18616623

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc(CO)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
ALOX5AP P20292 3/20 0.47
FEN1 P39748 1/20 0.46
SPHK2 Q9NRA0 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.43
SLC2A1 P11166 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL18616624 1.00 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL5151878 0.90 ALOX5AP (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL5151883 0.90 ALOX5AP (0.48) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL18295390 0.87 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL18295362 0.87 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL8240624 0.86 ALOX5AP (0.51) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL9900728 0.86 ALOX5AP (0.51) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL9241908 0.86 ALOX5AP (0.51) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL8247133 0.86 ALOX5AP (0.51) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP
SCHEMBL13801184 0.86 ALOX5AP (0.52) CHRNB4CHRNA3CHRNB2CHRNA4ALOX5AP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 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 (2 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CHRNB4 1728/4885CHRNA3 1681/4885CHRNB2 2132/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CHRNB4 1728/4885CHRNA3 1681/4885CHRNB2 2132/4885

“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.