SCHEMBL3645762

SCHEMBL3645762

Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2ccc(F)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
UTS2R Q9UKP6 4/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 4/20 0.35
CCR2 P41597 1/20 0.35
POLQ O75417 2/20 0.35
SLC6A9 P48067 1/20 0.35
MCHR1 Q99705 2/20 0.34
NNMT P40261 1/20 0.33
RORC P51449 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL3647718 1.00 PDE2A (0.38) PDE2AUTS2RMEN1KMT2ATACR1
SCHEMBL3645756 1.00 PDE2A (0.38) PDE2AUTS2RMEN1KMT2ATACR1
SCHEMBL3644833 0.91 TACR1 (0.44) UTS2RMEN1KMT2ATACR1SLC6A9
SCHEMBL3648595 0.91 TACR1 (0.44) UTS2RMEN1KMT2ATACR1SLC6A9
SCHEMBL3644830 0.91 TACR1 (0.44) UTS2RMEN1KMT2ATACR1SLC6A9
SCHEMBL3648820 0.90 KMT2A (0.37) MEN1KMT2AOPRM1OPRL1
SCHEMBL3646643 0.90 KMT2A (0.37) MEN1KMT2AOPRM1OPRL1
SCHEMBL3646639 0.90 KMT2A (0.37) MEN1KMT2AOPRM1OPRL1
SCHEMBL3644813 0.89 UTS2R (0.38) PDE2AUTS2RMEN1KMT2ATACR1
SCHEMBL3644818 0.89 UTS2R (0.38) PDE2AUTS2RMEN1KMT2ATACR1

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
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN claimed
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
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

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 PDE2A 2972/4885UTS2R 296/4885MEN1 776/4885

“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.