SCHEMBL3645573

SCHEMBL3645573

NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.43
UTS2R Q9UKP6 3/20 0.43
TACR1 P25103 4/20 0.42
CNR2 P34972 1/20 0.41
CNR1 P21554 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MLYCD O95822 1/20 0.39
SLC6A9 P48067 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
PDPK1 O15530 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
SCHEMBL8086085 0.90 TACR1 (0.42) TACR1MLYCDSLC6A9MEN1KMT2A
SCHEMBL3645993 0.89 TACR1 (0.44) UTS2RTACR1MLYCDSLC6A9MEN1
SCHEMBL3645996 0.89 TACR1 (0.44) UTS2RTACR1MLYCDSLC6A9MEN1
SCHEMBL3649918 0.89 TACR1 (0.44) UTS2RTACR1MLYCDSLC6A9MEN1
SCHEMBL3641635 0.89 TACR1 (0.42) UTS2RTACR1SLC6A9MEN1KMT2A
SCHEMBL1581600 0.88 TACR1 (0.43) PTGIRUTS2RTACR1CNR2CNR1
SCHEMBL3644269 0.87 TACR1 (0.43) UTS2RTACR1MLYCDSLC6A9MEN1
SCHEMBL4155415 0.86 SERPINE1 (0.44) TACR1CNR1SLC6A9
SCHEMBL3642140 0.86 CHRM5 (0.45) TACR1SLC6A9MEN1KMT2A
SCHEMBL4155695 0.86 TACR1 (0.42) UTS2RTACR1MLYCDSLC6A9

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
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A PTGIR 633/4885UTS2R 296/4885TACR1 78/4885

“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.