SCHEMBL833589

SCHEMBL833589

CCOC(=O)CNC(=O)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.63
TDP1 Q9NUW8 1/20 0.60
POLB P06746 1/20 0.58
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL13149442 0.88 TDP1 (0.77) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL7696860 0.85 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL11432192 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL22309146 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL10898232 0.85 MEN1 (0.72) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL23099698 0.85 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL10076252 0.85 RAB9A (0.67) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL1221369 0.85 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL834861 0.84 KMT2A (0.59) NPC1RAB9ASMN1; SMN2TDP1CA12
SCHEMBL16263575 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TDP1POLB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
CN-101272774-B Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD 2011-06-08 CN disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
CN-101272774-A Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD (JP) 2008-09-24 CN disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 EP disclosed
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 US disclosed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 EP disclosed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 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 (5 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NPC1 206/4885RAB9A 4065/4885SMN1; SMN2 4076/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S NPC1 2722/4885RAB9A 2854/4885SMN1; SMN2 2092/4885
US-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 NPC1 1311/4885RAB9A 1859/4885SMN1; SMN2 1271/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NPC1 206/4885RAB9A 4065/4885SMN1; SMN2 4076/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S NPC1 2722/4885RAB9A 2854/4885SMN1; SMN2 2092/4885

“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.