SCHEMBL4155695

SCHEMBL4155695

Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.42
EPHX2 P34913 1/20 0.38
SLC6A9 P48067 1/20 0.37
OPRK1 P41145 1/20 0.36
MDM2 Q00987 1/20 0.36
MCL1 Q07820 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
UTS2R Q9UKP6 2/20 0.36
MLYCD O95822 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL3761799 0.92 TACR1 (0.42) TACR1SLC6A9MCL1UTS2RALDH1A1
SCHEMBL3644830 0.91 TACR1 (0.44) TACR1SLC6A9MDM2UTS2R
SCHEMBL3648595 0.91 TACR1 (0.44) TACR1SLC6A9MDM2UTS2R
SCHEMBL3644833 0.91 TACR1 (0.44) TACR1SLC6A9MDM2UTS2R
SCHEMBL3640605 0.88 PTGDR2 (0.41) TACR1ALDH1A1
SCHEMBL3642184 0.87 TACR1 (0.43) TACR1SLC6A9OPRK1MDM2UTS2R
SCHEMBL3648958 0.87 TACR1 (0.41) TACR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3648965 0.87 TACR1 (0.41) TACR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3644269 0.86 TACR1 (0.43) TACR1SLC6A9MDM2UTS2RMLYCD
SCHEMBL3648189 0.86 TACR1 (0.40) TACR1HCRTR1HCRTR2

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 5 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 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 TACR1 78/4885EPHX2 1982/4885SLC6A9 2804/4885

“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.