SCHEMBL1543549

SCHEMBL1543549

COC(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
CTSK P43235 2/20 0.43
GAA P10253 2/20 0.42
HSD11B1 P28845 4/20 0.41
EPHX1 P07099 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.40
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 2/20 0.37

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
SCHEMBL1543201 1.00 BTK (0.47) BTKCTSKGAAHSD11B1EPHX1
SCHEMBL1543197 1.00 BTK (0.47) BTKCTSKGAAHSD11B1EPHX1
SCHEMBL14599275 0.91 BTK (0.44) BTKCTSKGAAHSD11B1EPHX1
SCHEMBL6418270 0.86 BTK (0.51) BTKCTSKGAAHSD11B1EPHX1
SCHEMBL23460451 0.85 BTK (0.43) BTKCTSKGAAEPHX1KDM1A
SCHEMBL25554246 0.84 BTK (0.45) BTKCTSKGAAHSD11B1KDM1A
SCHEMBL26979888 0.84 BTK (0.45) BTKCTSKGAAHSD11B1KDM1A
SCHEMBL21576710 0.84 BTK (0.45) BTKCTSKGAAHSD11B1KDM1A
SCHEMBL18929028 0.83 BTK (0.51) BTKCTSKGAAHSD11B1EPHX1
SCHEMBL21724861 0.83 BTK (0.46) BTKCTSKGAAHSD11B1EPHX1

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
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 BTK 3009/4885CTSK 1441/4885GAA 887/4885

“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.