SCHEMBL3645560

SCHEMBL3645560

COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
TACR1 P25103 3/20 0.41
PPARA Q07869 5/20 0.40
PPARD Q03181 3/20 0.40
PPARG P37231 1/20 0.40
CASR P41180 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE2A O00408 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR1H3 Q13133 1/20 0.38
ACHE P22303 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3644930 0.93 TACR1 (0.41) PTGDR2TACR1PPARAPPARDPPARG
SCHEMBL3644690 0.93 ALDH1A1 (0.44) PTGDR2TACR1PPARAPPARDPPARG
SCHEMBL3644607 0.93 ALDH1A1 (0.44) PTGDR2TACR1PPARAPPARDPPARG
SCHEMBL3645140 0.93 ALDH1A1 (0.44) PTGDR2TACR1PPARAPPARDPPARG
Hydrochloric Acid SCHEMBL3646916 0.92 ALDH1A1 (0.43) PTGDR2TACR1PPARAPPARDPPARG
Hydrochloric Acid SCHEMBL3646921 0.92 ALDH1A1 (0.43) PTGDR2TACR1PPARAPPARDPPARG
SCHEMBL3641142 0.91 PTGDR2 (0.39) PTGDR2PPARAPPARDPPARGMEN1
SCHEMBL1581063 0.90 TACR1 (0.42) PTGDR2TACR1PPARAPPARDPPARG
SCHEMBL3640605 0.90 PTGDR2 (0.41) PTGDR2TACR1PPARAPPARDPPARG
SCHEMBL3648958 0.89 TACR1 (0.41) PTGDR2TACR1PPARAPPARDPPARG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGDR2 736/4885TACR1 78/4885PPARA 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.