SCHEMBL1968359

SCHEMBL1968359

CCOC(=O)c1nc(C)oc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 3/20 0.59
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
KMT2A Q03164 3/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CDC7 O00311 1/20 0.47
TRPM8 Q7Z2W7 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
SCHEMBL4742423 0.88 TARBP2 (0.62) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL4499055 0.87 TARBP2 (0.73) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL4738316 0.86 TARBP2 (0.48) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL5727123 0.86 TARBP2 (0.56) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL4743899 0.86 TARBP2 (0.64) TARBP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4738984 0.86 GABRA2 (0.51) TARBP2ALDH1A1KDM4EHPGDGAA
SCHEMBL27189076 0.85 TARBP2 (0.78) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL13056699 0.85 TARBP2 (0.64) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL1340374 0.84 TRPM8 (0.53) TARBP2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL4786522 0.84 ALOX5 (0.55) TARBP2ALDH1A1KDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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 (2 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R TARBP2 3970/4885ALDH1A1 1961/4885KDM4E 903/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 TARBP2 4718/4885ALDH1A1 2292/4885KDM4E 452/4885

“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.