SCHEMBL5211642

SCHEMBL5211642

c1ccc(COc2ccc3c(c2)NCCCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.61
MAOA P21397 5/20 0.61
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
HRH3 Q9Y5N1 5/20 0.51
KDM1A O60341 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
REN P00797 1/20 0.48
CYP2D6 P10635 2/20 0.48
ALOX5 P09917 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL6225615 0.90 MAOB (0.63) MAOBMAOARXRARXRBRXRG
SCHEMBL4717674 0.90 MAOB (0.66) MAOBMAOAHRH3ALOX5
SCHEMBL6421129 0.85 MAOA (0.64) MAOBMAOAHRH3KDM1ACYP2D6
SCHEMBL30299191 0.82 HRH3 (0.72) MAOBMAOARXRARXRBRXRG
SCHEMBL5469125 0.81 HRH3 (0.45) MAOBMAOAPPARGPPARDPPARA
SCHEMBL15413967 0.80 MAOB (0.85) MAOBMAOA
SCHEMBL3875255 0.79 MAOA (0.68) MAOBMAOAHRH3ALOX5
SCHEMBL12472442 0.79 HRH3 (0.72) MAOBMAOARXRARXRBRXRG
Hydrochloric Acid SCHEMBL3902331 0.78 MAOA (0.66) MAOBMAOAHRH3ALOX5
SCHEMBL15897930 0.77 MAOA (0.50) MAOBMAOAPPARGPPARDPPARA

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 MAOB 251/4885MAOA 293/4885RXRA 1230/4885

“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.