SCHEMBL1582353

SCHEMBL1582353

COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(C(=O)N(C)C(C)C)c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASR P41180 1/20 0.42
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
PPARG P37231 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 1/20 0.39
MTTP P55157 1/20 0.39
DHFR P00374 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL1581115 0.93 TACR1 (0.45) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581462 0.91 TACR1 (0.51) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581393 0.91 TACR1 (0.51) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581525 0.91 PPARA (0.46) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581177 0.91 TACR1 (0.44) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581158 0.90 MTTP (0.48) TACR1KDM4EALDH1A1PPARAPPARD
SCHEMBL3959242 0.89 MTTP (0.43) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581310 0.88 HCRTR1 (0.47) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL12720678 0.88 PPARA (0.44) TACR1KDM4EALDH1A1CASRPPARA
SCHEMBL1581617 0.87 KDM4E (0.49) TACR1KDM4EALDH1A1CASRPPARA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121579-B1 MALONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-04-20 EP disclosed
US-7501541-B2 Malonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7501541-B2 Malonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7501541-B2 Malonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US disclosed
US-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US disclosed
US-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US 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-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, MTNR1B TACR1 57/4885KDM4E 1855/4885ALDH1A1 674/4885

“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.