SCHEMBL2844643

SCHEMBL2844643

CC1(C)Oc2cccnc2NCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 2/20 0.37
GSK3B P49841 1/20 0.36
CYP1A2 P05177 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
SYK P43405 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1696242 0.79 NPC1 (0.68) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2
SCHEMBL3109662 0.73 NPC1 (0.49) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2
SCHEMBL16430007 0.71 NPC1 (0.40) NPC1GSK3BCYP1A2SMN1; SMN2GAA
SCHEMBL30673323 0.70 NPC1 (0.42) NPC1KDM4ECYP1A2SMN1; SMN2MAPT
SCHEMBL19228635 0.69 NPC1 (0.48) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2
SCHEMBL29415906 0.69 NPC1 (0.48) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2
SCHEMBL8632002 0.68 NPC1 (1.00) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2
SCHEMBL29415662 0.66 NPC1 (0.48) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2
SCHEMBL3379455 0.66 NPC1 (0.44) NPC1GSK3BCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2840325 0.66 NPC1 (0.55) NPC1KDM4EGSK3BCYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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 (3 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI NPC1 1802/4885KDM4E 3209/4885GSK3B 3833/4885
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC NPC1 2141/4885KDM4E 4426/4885GSK3B 4141/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC NPC1 2141/4885KDM4E 4426/4885GSK3B 4141/4885

“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.