SCHEMBL1581606

SCHEMBL1581606

COc1cc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(C(N)=O)c2ccccc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.42
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
PPARG P37231 1/20 0.39
CASR P41180 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MTTP P55157 5/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MTNR1B P49286 2/20 0.37

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
SCHEMBL1581207 0.93 TACR1 (0.42) TACR1PPARAPPARDPPARGCASR
SCHEMBL1581177 0.93 TACR1 (0.44) TACR1PPARAPPARDPPARGCASR
SCHEMBL1581169 0.92 TACR1 (0.43) TACR1PPARAPPARDPPARGCASR
SCHEMBL3648189 0.90 TACR1 (0.40) TACR1PPARAPPARDPPARGCASR
SCHEMBL1581063 0.88 TACR1 (0.42) TACR1PPARAPPARDPPARGCASR
SCHEMBL1581525 0.87 PPARA (0.46) TACR1PPARAPPARDPPARGCASR
SCHEMBL3647798 0.87 PPARA (0.39) TACR1PPARAPPARDPPARGCASR
SCHEMBL1581559 0.87 CHRM5 (0.44) TACR1
SCHEMBL1581059 0.86 TACR1 (0.44) TACR1CASRKDM4EMTNR1B
SCHEMBL1581110 0.86 TACR1 (0.42) TACR1CASR

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
WO-2008110488-A1 MALONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-18 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-20080249180-A1 MALONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, MTNR1B TACR1 57/4885PPARA 1510/4885PPARD 1973/4885

“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.