SCHEMBL265705

SCHEMBL265705

Cc1ccc(CCN(C(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)c2ccc(C)c(C)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
CTSS P25774 1/20 0.41
TP53 P04637 1/20 0.39
S1PR3 Q99500 2/20 0.38
SCN9A Q15858 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
GLS O94925 2/20 0.32
OPRK1 P41145 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL265704 1.00 CTSK (0.41) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL266805 0.90 CTSS (0.38) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL266804 0.90 CTSS (0.38) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL264594 0.90 CTSS (0.42) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL264595 0.90 CTSS (0.42) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL3646400 0.84 CTSK (0.46) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL3646394 0.84 CTSK (0.46) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL3646395 0.84 CTSK (0.46) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL264420 0.83 CYP3A4 (0.44) CTSKCTSSTP53S1PR3SCN9A
SCHEMBL264421 0.83 CYP3A4 (0.44) CTSKCTSSTP53S1PR3SCN9A

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 4 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
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
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 CTSK 3769/4885CTSS 1741/4885TP53 4852/4885

“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.