SCHEMBL3743716

SCHEMBL3743716

CNC(=O)C(N[C@@H](CCc1ccc(C(F)(F)F)cc1)c1ccccc1C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.42
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
MMP9 P14780 2/20 0.42
MMP14 P50281 2/20 0.42
CTSA P10619 1/20 0.41
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
MMP13 P45452 3/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3743642 1.00 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3740943 1.00 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3740953 1.00 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3740951 1.00 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3740947 1.00 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3743713 1.00 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3727675 0.90 EEF2K (0.44) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3743056 0.90 EEF2K (0.44) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3743052 0.90 EEF2K (0.44) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3727678 0.90 EEF2K (0.44) MMP1MMP2MMP3MMP9MMP14

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 MMP1 4755/4885MMP2 4740/4885MMP3 3880/4885

“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.