SCHEMBL1491086

SCHEMBL1491086

Nc1ccnn1Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.56
HSP90AA1 P07900 1/20 0.54
TRAP1 Q12931 1/20 0.54
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL1491129 0.78 PDE8B (0.52) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL6760429 0.78 KDM4E (0.81) KDM4EKMT2ATSHRMEN1MAPT
SCHEMBL1491139 0.74 KDM4E (0.64) TRAP1KDM4EKMT2ATSHRHSD17B10
SCHEMBL3041981 0.73 CMA1 (0.60) CMA1HSP90AA1TRAP1KDM4EKMT2A
SCHEMBL7301245 0.72 TSHR (0.60) CMA1HSP90AA1TRAP1KDM4EKMT2A
SCHEMBL1612541 0.72 KDM4E (0.56) KDM4EKMT2ACYP1A2ALDH1A1PKM
SCHEMBL108678 0.72 KDM4E (0.70) CMA1KDM4EKMT2ATSHRMEN1
SCHEMBL1491057 0.72 KDM4E (0.70) KDM4EKMT2ATSHRMEN1MAPT
SCHEMBL1491104 0.71 KDM4E (0.58) KDM4EKMT2ATSHRMEN1MAPT
SCHEMBL1493470 0.71 KDM4E (0.50) CMA1KDM4EALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CMA1 992/4885HSP90AA1 4547/4885TRAP1 3237/4885

“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.