SCHEMBL13092295

SCHEMBL13092295

CN(C/C=C\CNC(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](F)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.44
▸ BMPR1B O00238 1/20 0.44
▸ P2RY12 Q9H244 2/20 0.43
▸ DOT1L Q8TEK3 4/20 0.43
▸ ADORA1 P30542 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ P2RY2 P41231 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41

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
SCHEMBL13092293 1.00 NT5E (0.44) NT5EBMPR1BP2RY12DOT1LADORA1
SCHEMBL25496185 0.78 BMPR1B (0.53) NT5EBMPR1BP2RY12ADORA1ADORA3
SCHEMBL26297894 0.78 BMPR1B (0.53) NT5EBMPR1BP2RY12ADORA1ADORA3
SCHEMBL29832209 0.78 P2RY12 (0.52) NT5EBMPR1BP2RY12ADORA1ADORA3
SCHEMBL19127970 0.78 P2RY12 (0.52) NT5EBMPR1BP2RY12ADORA1ADORA3
SCHEMBL18521420 0.78 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL21063207 0.78 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL21625242 0.78 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL314050 0.78 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL23621389 0.78 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2B

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-8633168-B2 Inhibitors of S-adenosyl-L-methionine decarboxylase GENZYME CORPORATION (US) 2014-01-21 — — US disclosed
US-8633168-B2 Inhibitors of S-adenosyl-L-methionine decarboxylase GENZYME CORPORATION (US) 2014-01-21 — — US disclosed
US-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION 2010-10-14 — — US disclosed
WO-2008157438-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE GENZYME CORPORATION (US) 2008-12-24 — — 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-20100261668-A1 INHIBITORS OF S-ADENOSYL-L-METHIONINE DECARBOXYLASE AMD1, MAT1A, AHCY NT5E 1191/4885BMPR1B 3911/4885P2RY12 4541/4885

“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.

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