SCHEMBL70249

SCHEMBL70249

CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
PPARG P37231 1/20 0.51
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
IKBKE Q14164 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GSK3B P49841 1/20 0.47
PRMT5 O14744 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL69490 0.89 JAK2 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10878638 0.89 NPSR1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6030397 0.88 GSK3B (0.48) KMT2AL3MBTL1LMNAMEN1IKBKE
SCHEMBL2819762 0.86 MCL1 (0.58) KMT2ALMNAMEN1MCL1
SCHEMBL69842 0.85 KMT2A (0.64) GABRA2KMT2AL3MBTL1LMNAMEN1
SCHEMBL6029890 0.84 MCL1 (0.57) LMNAALDH1A1MCL1
SCHEMBL93106 0.83 KMT2A (0.53) KMT2AL3MBTL1LMNANPSR1NPC1
Lithium Ion SCHEMBL6029887 0.82 MCL1 (0.49) IKBKEGSK3BPRMT5MCL1MAOB
SCHEMBL69431 0.82 KMT2A (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL71634 0.81 KMT2A (0.59) KMT2AL3MBTL1NPSR1ALDH1A1NPC1

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
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
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
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 GABRA1 3664/4885GABRG2 3657/4885GABRB3 2990/4885

“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.