SCHEMBL69490

SCHEMBL69490

CCOC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
GABRA1 P14867 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
KMT2A Q03164 2/20 0.50
PPARG P37231 1/20 0.49
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DHODH Q02127 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL70249 0.89 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31130309 0.89 MRGPRX4 (0.47) JAK2JAK3KMT2AMEN1L3MBTL1
SCHEMBL31130438 0.89 KMT2A (0.56) KMT2AL3MBTL1NPSR1POLBMAPT
SCHEMBL68122 0.86 MRGPRX4 (0.54) HSP90AA1NPSR1DHODHMRGPRX4MAOB
SCHEMBL70239 0.85 JAK2 (0.47) JAK2JAK3GABRA1GABRG2GABRB3
SCHEMBL69842 0.83 KMT2A (0.64) GABRA2KMT2AMEN1L3MBTL1NPSR1
SCHEMBL69431 0.80 KMT2A (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29114951 0.80 KMT2A (0.60) JAK2JAK3KMT2AL3MBTL1NPSR1
SCHEMBL69174 0.80 SPHK2 (0.48) MRGPRX4NR4A2
SCHEMBL8290060 0.79 SMN1; SMN2 (0.56) KMT2AMEN1L3MBTL1NPSR1POLB

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 4 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-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 (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 JAK2 3462/4885JAK3 4716/4885GABRA1 3664/4885

“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.