SCHEMBL264390

SCHEMBL264390

Cc1cc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(=O)c2ccccc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
NR3C2 P08235 1/20 0.39
MCHR1 Q99705 2/20 0.38
MAOB P27338 1/20 0.37
SORT1 Q99523 1/20 0.37
MLYCD O95822 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
VNN1 O95497 1/20 0.36
TACR1 P25103 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
FFAR1 O14842 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL264439 0.84 VNN1 (0.43) PDPK1MCHR1MAOBMLYCDVNN1
SCHEMBL3644621 0.84 PDPK1 (0.43) PDPK1MCHR1MAOBMLYCDTACR1
SCHEMBL264380 0.83 TACR1 (0.43) NR3C2MCHR1SORT1TACR1KMT2A
SCHEMBL264378 0.83 TACR1 (0.43) NR3C2MCHR1SORT1TACR1KMT2A
SCHEMBL264379 0.83 TACR1 (0.43) NR3C2MCHR1SORT1TACR1KMT2A
SCHEMBL265057 0.80 PDPK1 (0.41) PDPK1MLYCDVNN1MRGPRX4
SCHEMBL265888 0.80 PDPK1 (0.39) PDPK1MCHR1MAOBMLYCDTACR1
SCHEMBL265215 0.79 PDPK1 (0.41) PDPK1MCHR1MLYCDKMT2A
SCHEMBL264643 0.79 GRM4 (0.42) PDPK1MLYCDMRGPRX4
SCHEMBL3646411 0.74 CES2 (0.38) MCHR1VNN1KMT2A

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
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 PDPK1 3487/4885NR3C2 137/4885MCHR1 23/4885

“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.