SCHEMBL5211526

SCHEMBL5211526

COc1ccc(CC(=O)NCCCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.82
MTNR1B P49286 3/20 0.82
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
APP P05067 1/20 0.58
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL6376395 0.93 MTNR1A (0.71) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL14027269 0.92 ALDH1A1 (0.72) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL14027267 0.92 ALDH1A1 (0.72) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL18736058 0.92 MTNR1A (0.72) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6376361 0.91 ALDH1A1 (0.73) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6377560 0.91 ALDH1A1 (0.73) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL5212000 0.88 L3MBTL1 (0.72) MTNR1AMTNR1BL3MBTL1CA1CA2
SCHEMBL17212227 0.87 MTNR1A (0.66) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6803467 0.86 MTNR1A (0.67) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL5145316 0.86 MTNR1A (0.64) MTNR1AMTNR1BKMT2AALDH1A1MEN1

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
EP-1347967-B1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed
US-7192950-B2 Benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-03-20 US disclosed
US-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-25 US disclosed
EP-1347967-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-10-01 EP disclosed
WO-2002051838-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO disclosed
WO-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 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-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists HCRTR2, HCRTR1, OXTR MTNR1A 123/4885MTNR1B 90/4885KMT2A 831/4885

“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.