SCHEMBL71247

SCHEMBL71247

O=C(O)CNC(=O)c1ccc(Nc2ccccc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.66
DGAT1 O75907 1/20 0.60
MAPT P10636 2/20 0.59
GRM5 P41594 1/20 0.53
FTO Q9C0B1 7/20 0.51
EGLN1 Q9GZT9 6/20 0.51
HIF1AN Q9NWT6 5/20 0.48
KDM5B Q9UGL1 4/20 0.48
KDM6B O15054 3/20 0.48
KDM3A Q9Y4C1 3/20 0.48
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46

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
SCHEMBL70192 0.83 MAPT (0.57) HCAR3DGAT1MAPTGRM5KDM4E
SCHEMBL1332232 0.82 MAPT (0.84) HCAR3MAPTKDM4ENPC1ALDH1A1
SCHEMBL9076442 0.82 HCAR3 (0.73) HCAR3MAPTGRM5KDM4ENPC1
SCHEMBL1331547 0.80 MAPT (0.73) HCAR3MAPTKDM4ENPC1RAB9A
SCHEMBL69804 0.80 MAPT (0.61) DGAT1MAPTFTOEGLN1HIF1AN
SCHEMBL71308 0.80 HCAR3 (1.00) HCAR3MAPTGRM5NPC1RAB9A
SCHEMBL27851429 0.78 MAPT (0.60) HCAR3MAPTGRM5KDM4ENPC1
SCHEMBL14607583 0.77 HCAR3 (0.76) HCAR3MAPTGRM5LMNA
SCHEMBL64414 0.75 HCAR3 (0.71) HCAR3MAPTGRM5KDM4ENPC1
SCHEMBL22804207 0.74 EPHX2 (0.59) DGAT1MAPTEGLN1HPGDSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HCAR3 443/4885DGAT1 47/4885MAPT 3456/4885

“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.