SCHEMBL3645320

SCHEMBL3645320

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
CNR1 P21554 4/20 0.41
PTGIR P43119 2/20 0.40
FFAR1 O14842 1/20 0.39
CNR2 P34972 2/20 0.38
EPHX1 P07099 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CYP2C9 P11712 1/20 0.37
EGFR P00533 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX5 P09917 1/20 0.37
ADRB3 P13945 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 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
SCHEMBL4155687 0.90 CETP (0.47) CETPTRPM8FFAR1EPHX1SLC13A5
SCHEMBL3646622 0.85 PTGIR (0.41) CNR1PTGIRCNR2CYP2C9ADRB1
SCHEMBL3646791 0.83 TACR1 (0.40) CETPPPARGPPARAALOX5
SCHEMBL8089328 0.83 GLI1 (0.40) PTGIRALOX5DRD2OPRM1DRD3
SCHEMBL3641635 0.81 TACR1 (0.42) CETP
SCHEMBL4149240 0.81 OPRK1 (0.43) CETPCHRM3OPRM1OPRK1
SCHEMBL3644405 0.81 OPRK1 (0.43) CETPCHRM3OPRM1OPRK1
SCHEMBL3641831 0.81 EPHX1 (0.42) TRPM8EPHX1OPRM1NR1H4
SCHEMBL3647012 0.81 OPRK1 (0.43) CETPCHRM3OPRM1OPRK1
SCHEMBL3641828 0.81 EPHX1 (0.42) TRPM8EPHX1OPRM1NR1H4

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 6 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
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 385/4885CNR1 24/4885

“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.