SCHEMBL3738586

SCHEMBL3738586

CNC(=O)C(N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cccc(OC(F)F)c1)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.42
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MMP1 P03956 3/20 0.35
MMP13 P45452 2/20 0.35
MAOB P27338 1/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
SIRT2 Q8IXJ6 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
SCHEMBL3737961 1.00 UTS2R (0.42) UTS2RLMNAMEN1MAPTHTT
SCHEMBL3738582 1.00 UTS2R (0.42) UTS2RLMNAMEN1MAPTHTT
SCHEMBL3737957 1.00 UTS2R (0.42) UTS2RLMNAMEN1MAPTHTT
SCHEMBL3737956 1.00 UTS2R (0.42) UTS2RLMNAMEN1MAPTHTT
SCHEMBL3737959 1.00 UTS2R (0.42) UTS2RLMNAMEN1MAPTHTT
SCHEMBL3738585 1.00 UTS2R (0.42) UTS2RLMNAMEN1MAPTHTT
SCHEMBL3729962 0.94 UTS2R (0.41) UTS2RLMNAMEN1HTTKMT2A
SCHEMBL3729960 0.94 UTS2R (0.41) UTS2RLMNAMEN1HTTKMT2A
SCHEMBL3729956 0.94 UTS2R (0.41) UTS2RLMNAMEN1HTTKMT2A
SCHEMBL3732631 0.94 UTS2R (0.41) UTS2RLMNAMEN1HTTKMT2A

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 3 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
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 UTS2R 221/4885LMNA 3364/4885MEN1 1772/4885

“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.