SCHEMBL4155687

SCHEMBL4155687

NC(C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1cccc(OC(F)(F)F)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.47
TRPM8 Q7Z2W7 1/20 0.42
TACR1 P25103 3/20 0.40
FFAR1 O14842 1/20 0.39
SERPINE1 P05121 1/20 0.38
EPHX1 P07099 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC13A5 Q86YT5 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
SCHEMBL3646791 0.92 TACR1 (0.40) CETPTACR1PPARGPPARAUTS2R
SCHEMBL3644405 0.90 OPRK1 (0.43) CETPTACR1UTS2R
SCHEMBL3647012 0.90 OPRK1 (0.43) CETPTACR1UTS2R
SCHEMBL4149240 0.90 OPRK1 (0.43) CETPTACR1UTS2R
SCHEMBL3645320 0.90 CETP (0.42) CETPTRPM8FFAR1EPHX1PPARG
SCHEMBL4155415 0.89 SERPINE1 (0.44) TACR1SERPINE1EPHX1LTA4HEPHX2
SCHEMBL3643397 0.88 TACR1 (0.44) TRPM8TACR1FFAR1SERPINE1EPHX1
SCHEMBL8082608 0.86 TACR1 (0.43) TACR1EPHX1
SCHEMBL3644923 0.85 TACR1 (0.44) CETPTACR1UTS2R
SCHEMBL3641635 0.85 TACR1 (0.42) CETPTACR1UTS2R

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 CETP 3732/4885TRPM8 385/4885TACR1 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.