SCHEMBL1072452

SCHEMBL1072452

C=CCOC1CCCN(C(=O)N[C@H](C(=O)O)C2CCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSS P25774 1/20 0.32
EPHX2 P34913 1/20 0.32
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
REN P00797 6/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL20310044 1.00 GAA (0.33) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL3311882 0.99 GAA (0.35) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1070033 0.99 GAA (0.35) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL8008225 0.99 GAA (0.35) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL12963557 0.99 GAA (0.35) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1071128 0.94 REN (0.33) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1072256 0.94 REN (0.33) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1071581 0.93 REN (0.34) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1069435 0.93 REN (0.34) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL12963648 0.93 REN (0.34) GAAMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 GAA 367/4885MEN1 3427/4885NPC1 554/4885

“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.