SCHEMBL70084

SCHEMBL70084

CCOC(=O)c1cn2cc(-n3cccn3)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.49
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
NPC1 O15118 4/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PDE4A P27815 1/20 0.44
CYP1A2 P05177 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL72199 0.82 PTGS1 (0.54) KDM4EALDH1A1RAB9AMAPTNPC1
SCHEMBL871014 0.78 KDM4E (0.69) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL1363765 0.77 RXFP1 (0.61) KDM4EPOLBALDH1A1HPGDRAB9A
SCHEMBL21033712 0.77 KDM4E (0.60) KDM4EPOLBALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL21223028 0.76 KDM4E (0.63) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL101682 0.75 KDM4E (0.70) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL118658 0.75 KDM4E (0.66) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL21033293 0.75 KDM4E (0.55) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL1500236 0.74 KDM4E (0.64) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL17492364 0.74 GAA (0.62) KDM4EPOLBALDH1A1HPGDGAA

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 9 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
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KDM4E 434/4885POLB 1958/4885ALDH1A1 969/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KDM4E 375/4885POLB 1727/4885ALDH1A1 784/4885

“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.