SCHEMBL1493414

SCHEMBL1493414

COc1ccc(Cn2nccc2NC(=O)CCc2nnnn2-c2cccc(C)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA5 P22460 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1493574 0.91 TP53 (0.41) HSD11B1ALDH1A1TP53HTTMAPT
SCHEMBL1612419 0.89 HSD11B1 (0.43) HSD11B1ALDH1A1TP53
SCHEMBL1493310 0.88 ALDH1A1 (0.42) HSD11B1NPBWR1MCHR1ALDH1A1TSHR
SCHEMBL1612005 0.88 SMN1; SMN2 (0.46) HSD11B1ALDH1A1TSHRTP53HTT
SCHEMBL1612568 0.87 ALDH1A1 (0.44) HSD11B1NPBWR1MCHR1ALDH1A1TSHR
SCHEMBL1493380 0.87 MAPT (0.45) HSD11B1NPBWR1MCHR1ALDH1A1TP53
SCHEMBL1612000 0.86 HTT (0.45) ALDH1A1TP53HTTMAPTTHRB
SCHEMBL1612083 0.85 THRB (0.42) ALDH1A1TP53HTTMAPTTHRB
SCHEMBL1493469 0.85 MAPT (0.44) ALDH1A1TSHRTP53HTTMAPT
SCHEMBL1611820 0.85 ALDH1A1 (0.53) ALDH1A1HTTMAPTMEN1KMT2A

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US claimed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO claimed
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 HSD11B1 1201/4885NPBWR1 97/4885MCHR1 18/4885

“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.