SCHEMBL8074757

SCHEMBL8074757

COc1cccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@@H](N)c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
PDE2A O00408 1/20 0.38
KMT2A Q03164 3/20 0.38
UTS2R Q9UKP6 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
SLC6A9 P48067 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAOB P27338 1/20 0.36
SLC2A4 P14672 1/20 0.36
SLC2A8 Q9NY64 1/20 0.36

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
SCHEMBL3644405 0.93 OPRK1 (0.43) OPRK1LTB4R2KMT2AUTS2RMEN1
SCHEMBL3647012 0.93 OPRK1 (0.43) OPRK1LTB4R2KMT2AUTS2RMEN1
SCHEMBL4149240 0.93 OPRK1 (0.43) OPRK1LTB4R2KMT2AUTS2RMEN1
SCHEMBL3647895 0.88 PPARA (0.43) PDE2AKMT2AMEN1
SCHEMBL3646668 0.88 PPARA (0.43) PDE2AKMT2AMEN1
SCHEMBL3648262 0.87 LTB4R2 (0.39) OPRK1LTB4R2KMT2AUTS2RSIRT2
SCHEMBL3646294 0.85 OPRK1 (0.39) OPRK1LTB4R2PDE2AKMT2AUTS2R
SCHEMBL3649113 0.84 CHRM5 (0.39) OPRK1TDP1LTB4R2KMT2ASIRT2
SCHEMBL3646791 0.83 TACR1 (0.40) KMT2AUTS2RSIRT2MEN1SLC6A9
SCHEMBL4155687 0.83 CETP (0.47) UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 OPRK1 70/4885TDP1 4621/4885LTB4R2 548/4885

“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.