SCHEMBL3978864

SCHEMBL3978864

CCOC(=O)Cn1c(=O)c(C(C)N(C(=O)Nc2ccccc2OCC)C(C)c2ccccc2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NTRK1 P04629 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL3986665 0.91 NTRK1 (0.42) MAPTALDH1A1HSD17B10NTRK1NTRK2
SCHEMBL3976199 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3979905 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3976204 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3981695 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3981699 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3981697 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3976197 0.88 NTRK1 (0.48) MAPTKDM4EALDH1A1NTRK1NTRK2
SCHEMBL3985244 0.87 KDM4E (0.45) MAPTKDM4EALDH1A1HTTHSD17B10
SCHEMBL8338936 0.85 NTRK1 (0.40) KDM4EALDH1A1HSD17B10CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 — — US claimed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 — — US claimed
EP-1620409-A1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 — — EP claimed
WO-2004096780-A1 QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 — — WO claimed
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 — — US disclosed
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 — — US disclosed
EP-1620409-B1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-01-09 — — EP disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 — — US disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 — — US disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 — — 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-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R MAPT 2906/4885KDM4E 1645/4885ALDH1A1 1096/4885

“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.

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