SCHEMBL3761799

SCHEMBL3761799

Cc1cc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccccc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.42
MCL1 Q07820 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A9 P48067 1/20 0.37
UTS2R Q9UKP6 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MC4R P32245 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
SCHEMBL4155695 0.92 TACR1 (0.42) TACR1MCL1ALDH1A1CTDSP1SLC6A9
SCHEMBL3644830 0.91 TACR1 (0.44) TACR1SLC6A9UTS2R
SCHEMBL3644833 0.91 TACR1 (0.44) TACR1SLC6A9UTS2R
SCHEMBL3648595 0.91 TACR1 (0.44) TACR1SLC6A9UTS2R
SCHEMBL3642184 0.89 TACR1 (0.43) TACR1SLC6A9UTS2R
SCHEMBL3648189 0.88 TACR1 (0.40) TACR1MC4R
SCHEMBL3640605 0.86 PTGDR2 (0.41) TACR1ALDH1A1SMN1; SMN2
SCHEMBL3645996 0.86 TACR1 (0.44) TACR1SLC6A9UTS2R
SCHEMBL3645993 0.86 TACR1 (0.44) TACR1SLC6A9UTS2R
SCHEMBL3645573 0.86 PTGIR (0.43) TACR1SLC6A9UTS2R

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 7 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
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 TACR1 78/4885MCL1 4690/4885ALDH1A1 1565/4885

“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.