SCHEMBL3645140

SCHEMBL3645140

COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](N)c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PPARA Q07869 3/20 0.43
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR1 P25103 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CTSD P07339 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CASR P41180 1/20 0.41
ACE P12821 1/20 0.41
MAPT P10636 2/20 0.40
MMP1 P03956 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3644607 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3644690 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EPPARAPPARDPPARG
Hydrochloric Acid SCHEMBL3646921 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EPPARAPPARDPPARG
Hydrochloric Acid SCHEMBL3646916 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3648965 0.93 TACR1 (0.41) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3648958 0.93 TACR1 (0.41) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3644930 0.93 TACR1 (0.41) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3645560 0.93 PTGDR2 (0.41) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3640605 0.92 PTGDR2 (0.41) ALDH1A1KDM4EPPARAPPARDPPARG
SCHEMBL3648189 0.92 TACR1 (0.40) PPARAPPARDPPARGTACR1PTGDR2

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 10 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 claimed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP claimed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO claimed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
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 ALDH1A1 1565/4885KDM4E 1663/4885PPARA 629/4885

“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.