SCHEMBL5208237

SCHEMBL5208237

COc1cc(CCC(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.69
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
FFAR4 Q5NUL3 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
BLM P54132 1/20 0.56
ALOX5 P09917 1/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
PKM P14618 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
SCHEMBL5881099 0.93 APP (0.73) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL19193891 0.92 FFAR4 (0.59) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL27746657 0.91 FFAR4 (0.59) APPMTNR1AMTNR1BHDAC1FFAR4
SCHEMBL5209587 0.88 APP (0.73) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL7999090 0.88 APP (0.73) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL6583603 0.88 APP (0.66) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL9680818 0.87 APP (0.72) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL6366353 0.87 NPC1 (0.59) APPMTNR1AMTNR1BNPC1RAB9A
SCHEMBL5206677 0.86 APP (0.70) APPMTNR1AMTNR1BHDAC1HDAC2
SCHEMBL6585841 0.84 APP (0.69) APPMTNR1AMTNR1BHDAC1HDAC2

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-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO 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

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 APP 331/4885MTNR1A 123/4885MTNR1B 90/4885

“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.