SCHEMBL5209919

SCHEMBL5209919

COc1ccc(CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C(C)c2ccccc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
PLIN1 O60240 1/20 0.51
GSTO1 P78417 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
CCR5 P51681 1/20 0.49

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
SCHEMBL5209927 1.00 KMT2A (0.52) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL6993505 0.79 L3MBTL1 (0.58) KMT2AALDH1A1OPRK1PLAAT3PLAAT5
SCHEMBL8098593 0.77 L3MBTL1 (0.58) KMT2AALDH1A1OPRK1PLAAT3PLAAT5
SCHEMBL6094269 0.74 KMT2A (0.55) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL3963532 0.73 CA5A (0.52) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL4149143 0.72 L3MBTL1 (0.55) KMT2AALDH1A1KDM4ELMNASMPD1
SCHEMBL10879740 0.72 CDK8 (0.67) KMT2AALDH1A1LMNAMEN1NPC1
SCHEMBL28901341 0.71 L3MBTL1 (0.57) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL21798490 0.71 CHRM2 (0.49) KMT2AKDM4ELMNAMEN1
SCHEMBL21798493 0.71 CHRM2 (0.49) KMT2AKDM4ELMNAMEN1

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 5 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

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 KMT2A 831/4885ALDH1A1 2351/4885KDM4E 1024/4885

“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.