SCHEMBL3735896

SCHEMBL3735896

CNC(=O)[C@@H](N[C@@H](CCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.43
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
MMP8 P22894 3/20 0.43
MMP12 P39900 3/20 0.43
MMP13 P45452 3/20 0.43
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SLC2A1 P11166 1/20 0.38
KLK7 P49862 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL3732654 1.00 MMP2 (0.43) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3735900 1.00 MMP2 (0.43) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3734682 1.00 MMP2 (0.43) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3732652 1.00 MMP2 (0.43) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3734687 1.00 MMP2 (0.43) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3733797 1.00 MMP2 (0.43) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3730276 0.85 NPSR1 (0.48) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3734084 0.85 NPSR1 (0.48) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3730279 0.85 NPSR1 (0.48) MMP2MMP1MMP3MMP8MMP12
SCHEMBL3730874 0.85 NPSR1 (0.48) MMP2MMP1MMP3MMP8MMP12

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 claimed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US claimed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US claimed
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 MMP2 4740/4885MMP1 4755/4885MMP3 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.