SCHEMBL4155415

SCHEMBL4155415

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.44
EPHX1 P07099 1/20 0.44
SLC6A9 P48067 6/20 0.40
TACR1 P25103 2/20 0.40
GPR88 Q9GZN0 1/20 0.40
LTA4H P09960 2/20 0.39
EPHX2 P34913 2/20 0.39
HAT1 O14929 1/20 0.38
EP300 Q09472 1/20 0.38
CNR1 P21554 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
SCHEMBL3642140 0.90 CHRM5 (0.45) SLC6A9TACR1
SCHEMBL4155687 0.89 CETP (0.47) SERPINE1EPHX1TACR1LTA4HEPHX2
SCHEMBL3644592 0.89 PPARG (0.45) SLC6A9TACR1LTA4HEPHX2
SCHEMBL3649784 0.89 PPARG (0.45) SLC6A9TACR1LTA4HEPHX2
SCHEMBL3644589 0.89 PPARG (0.45) SLC6A9TACR1LTA4HEPHX2
SCHEMBL8086085 0.87 TACR1 (0.42) SLC6A9TACR1
SCHEMBL3645993 0.86 TACR1 (0.44) SLC6A9TACR1GPR88
SCHEMBL3645573 0.86 PTGIR (0.43) SLC6A9TACR1CNR1
SCHEMBL3645996 0.86 TACR1 (0.44) SLC6A9TACR1GPR88
SCHEMBL3649918 0.86 TACR1 (0.44) SLC6A9TACR1GPR88

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 4 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
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 SERPINE1 4371/4885EPHX1 1879/4885SLC6A9 2804/4885

“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.