SCHEMBL3736072

SCHEMBL3736072

NC(=O)Oc1ccc(CC[CH]c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CSF1R P07333 1/20 0.37
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.34
DAO P14920 1/20 0.34
FAAH O00519 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CHRNA7 P36544 1/20 0.33
FABP4 P15090 1/20 0.33
THRB P10828 1/20 0.33
TRPV4 Q9HBA0 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
SCHEMBL3732183 0.82 KIF11 (0.60) KIF11MAOB
SCHEMBL3743690 0.82 KIF11 (0.60) KIF11MAOB
SCHEMBL3733475 0.79 KIF11 (0.43) KIF11PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4762723 0.78 KIF11 (0.51) KIF11PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3741169 0.78 KMT2A (0.54) KIF11KMT2AMAOBFAAHTHRB
SCHEMBL15157215 0.76 TRPV4 (0.40) PLAAT3PLAAT5PLAAT2PLAAT4MRGPRX4
SCHEMBL3734740 0.75 TAAR1 (0.43) KMT2AMAOBTHRB
SCHEMBL15156965 0.73 TRPV4 (0.42) MRGPRX4KMT2ADAOKCNQ3KCNQ2
SCHEMBL3732868 0.72 ALDH1A1 (0.47) KMT2A
SCHEMBL3739838 0.72 KIF11 (0.49) KIF11MRGPRX4KMT2AMAOB

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
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
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 KIF11 4556/4885PLAAT3 1603/4885PLAAT5 2085/4885

“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.