SCHEMBL69431

SCHEMBL69431

CCOC(=O)c1cc(-c2ccccc2OCc2ccccc2)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
BRD4 O60885 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IDO1 P14902 1/20 0.48
GABRA1 P14867 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
PTGER1 P34995 1/20 0.46
PPIA P62937 3/20 0.44
HTT P42858 1/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRB1 P18505 2/20 0.43

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
SCHEMBL1066556 0.86 IDO1 (0.54) BRD4IDO1PTGER1
SCHEMBL91583 0.85 KMT2A (0.53) KMT2ANPSR1L3MBTL1GABRA1GABRG2
SCHEMBL1528353 0.84 KMT2A (0.57) KMT2ANPSR1L3MBTL1GABRA1GABRG2
SCHEMBL29930960 0.84 KMT2A (0.57) KMT2ANPSR1L3MBTL1GABRA1GABRG2
SCHEMBL70249 0.82 GABRA1 (0.54) KMT2ANPSR1L3MBTL1GABRA1GABRG2
SCHEMBL72220 0.81 BRD4 (0.66) BRD4NPSR1THRBPTGER1PPIA
SCHEMBL25352761 0.80 HCAR2 (0.47) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL69490 0.80 JAK2 (0.55) KMT2ANPSR1L3MBTL1GABRA1GABRG2
SCHEMBL70310 0.79 IDO1 (0.47) KMT2ABRD4NPSR1L3MBTL1IDO1
SCHEMBL25411835 0.78 KMT2A (0.58) KMT2ANPSR1L3MBTL1GABRA1GABRG2

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 KMT2A 1352/4885BRD4 204/4885NPSR1 3026/4885

“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.