SCHEMBL3707642

SCHEMBL3707642

CN(C(=O)O)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 1/20 0.39
PIK3CD O00329 2/20 0.37
LMNA P02545 2/20 0.36
CYP46A1 Q9Y6A2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
TBK1 Q9UHD2 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
SCHEMBL23795105 1.00 NPC1 (0.41) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL9960095 0.87 PIK3CD (0.43) NPC1RAB9AMEN1KMT2APIK3CD
SCHEMBL14970371 0.83 PIK3CD (0.44) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL1933751 0.82
SCHEMBL15492381 0.79 LMNA (0.42) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL21592411 0.79 NPC1 (0.39) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL16219004 0.79 PIK3CD (0.41) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL12232869 0.79 NPC1 (0.39) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL12331335 0.77 NPC1 (0.38) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL13194870 0.77 LMNA (0.41) NPC1RAB9AMEN1KMT2AHDAC1

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-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NPC1 453/4885RAB9A 931/4885MEN1 1139/4885

“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.