SCHEMBL3650072

SCHEMBL3650072

N[C@H](C(=O)N(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.41
KIF11 P52732 4/20 0.39
SLC6A9 P48067 1/20 0.37
GCGR P47871 3/20 0.37
OPRK1 P41145 1/20 0.37
GIPR P48546 2/20 0.36
MLYCD O95822 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3646737 1.00 TACR1 (0.41) TACR1KIF11SLC6A9GCGROPRK1
SCHEMBL265116 0.87 SCN5A (0.36) TACR1KIF11RXRARXRBRXRG
SCHEMBL265115 0.87 SCN5A (0.36) TACR1KIF11RXRARXRBRXRG
SCHEMBL3647514 0.87 OPRK1 (0.36) TACR1SLC6A9OPRK1MEN1KMT2A
SCHEMBL3644269 0.85 TACR1 (0.43) TACR1SLC6A9MLYCDMEN1KMT2A
SCHEMBL3643397 0.85 TACR1 (0.44) TACR1MEN1KMT2A
SCHEMBL3644830 0.84 TACR1 (0.44) TACR1KIF11SLC6A9MEN1KMT2A
SCHEMBL3648595 0.84 TACR1 (0.44) TACR1KIF11SLC6A9MEN1KMT2A
SCHEMBL3644833 0.84 TACR1 (0.44) TACR1KIF11SLC6A9MEN1KMT2A
SCHEMBL8086085 0.83 TACR1 (0.42) TACR1SLC6A9MLYCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP claimed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO claimed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
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 78/4885KIF11 3161/4885SLC6A9 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.