SCHEMBL1581533

SCHEMBL1581533

COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(C(=O)N(C)C)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.42
OXTR P30559 6/20 0.40
SCN9A Q15858 1/20 0.40
SLC6A9 P48067 1/20 0.38
LIPE Q05469 3/20 0.37
KLRK1 P26718 2/20 0.37
MICA Q29983 2/20 0.37
RAET1L Q5VY80 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL8194590 0.93 TACR1 (0.41) TACR1OXTRSCN9ASLC6A9LIPE
SCHEMBL1581627 0.92 TACR1 (0.40) TACR1OXTRLIPETRPM8NPC1
SCHEMBL8178945 0.90 TACR1 (0.39) TACR1OXTRLIPETRPM8NPC1
SCHEMBL264114 0.87 TACR1 (0.39) TACR1OXTRLIPETRPM8NPC1
SCHEMBL264116 0.87 TACR1 (0.39) TACR1OXTRLIPETRPM8NPC1
SCHEMBL264115 0.87 TACR1 (0.39) TACR1OXTRLIPETRPM8NPC1
SCHEMBL1581363 0.87 TACR1 (0.51) TACR1SLC6A9KLRK1MICARAET1L
SCHEMBL1581562 0.84 TACR1 (0.45) TACR1SLC6A9KLRK1MICARAET1L
SCHEMBL1581115 0.84 TACR1 (0.45) TACR1
SCHEMBL1581344 0.82 TACR1 (0.44) TACR1SLC6A9

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-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-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 57/4885OXTR 15/4885SCN9A 956/4885

“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.