SCHEMBL5213186

SCHEMBL5213186

O=C(O)C(c1ccccc1)N1CCCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
GAA P10253 1/20 0.62
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
XIAP P98170 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
RIPK1 Q13546 3/20 0.46
GRM7 Q14831 1/20 0.44
MAPT P10636 1/20 0.41

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
SCHEMBL2949227 0.91 LMNA (0.58) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL31652736 0.85 LMNA (0.62) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL31652570 0.85 LMNA (0.62) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL31652653 0.85 LMNA (0.62) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL628330 0.80 LMNA (0.96) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL2227113 0.80 LMNA (0.96) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL18061849 0.80 LMNA (0.89) LMNAGAAALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL15063253 0.79 LMNA (1.00) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL2554530 0.79 GAA (0.96) LMNAGAAALDH1A1KDM4ETSHR
SCHEMBL628011 0.79 GAA (0.96) LMNAGAAALDH1A1KDM4ETSHR

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 LMNA 2249/4885GAA 1588/4885ALDH1A1 2351/4885

“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.