SCHEMBL3739873

SCHEMBL3739873

N#Cc1cccc(C(=O)CCc2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
VNN1 O95497 13/20 0.46
MRGPRX4 Q96LA9 2/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL3747949 0.83 HSD11B1 (0.46) MRGPRX4
SCHEMBL3739872 0.82 GRM5 (0.47) VNN1MRGPRX4
SCHEMBL3747705 0.82 MRGPRX4 (0.47) VNN1MRGPRX4FFAR1
SCHEMBL3735490 0.81 MRGPRX4 (0.47) MRGPRX4
SCHEMBL27940180 0.77 VNN1 (0.56) GSK3BVNN1FFAR1FFAR4
SCHEMBL3747714 0.76 DAO (0.43) MRGPRX4
SCHEMBL3732884 0.76 DAO (0.43) MRGPRX4
SCHEMBL3740255 0.75 DAO (0.42) VNN1MRGPRX4FFAR1
SCHEMBL3730577 0.74 CTNNB1 (0.52)
SCHEMBL3743226 0.74 PIM1 (0.42) MRGPRX4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 GSK3B 2132/4885VNN1 3924/4885MRGPRX4 245/4885

“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.