SCHEMBL1581063

SCHEMBL1581063

COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(C(N)=O)c2ccccc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
CASR P41180 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR1H3 Q13133 1/20 0.40
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTTP P55157 1/20 0.38
CTSD P07339 1/20 0.38
ACHE P22303 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL1581177 0.94 TACR1 (0.44) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL1581344 0.92 TACR1 (0.44) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL1581207 0.90 TACR1 (0.42) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL3645560 0.90 PTGDR2 (0.41) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL1581606 0.88 TACR1 (0.42) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL1581525 0.88 PPARA (0.46) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL1581115 0.86 TACR1 (0.45) TACR1PPARAPPARDCASRPTGDR2
SCHEMBL1581559 0.86 CHRM5 (0.44) TACR1MEN1KMT2ACHRM5CHRM1
SCHEMBL1581118 0.85 TACR1 (0.42) TACR1PPARAPPARDLMNAPPARG
SCHEMBL12720550 0.85 CASR (0.39) TACR1PPARAPPARDCASRPTGDR2

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.