SCHEMBL3740246

SCHEMBL3740246

CNC(=O)[C@H](N[C@@H](CCc1ccc(C)nc1)c1ccc(F)c(C)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.40
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP14 P50281 2/20 0.37
HAT1 O14929 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR39 O43194 1/20 0.35
S1PR3 Q99500 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
AKT1 P31749 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
S1PR1 P21453 1/20 0.34
ULK1 O75385 1/20 0.33
HDAC3 O15379 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
SCHEMBL3732600 1.00 EP300 (0.40) EP300MMP1MMP2MMP3MMP9
SCHEMBL3734989 1.00 EP300 (0.40) EP300MMP1MMP2MMP3MMP9
SCHEMBL3732595 1.00 EP300 (0.40) EP300MMP1MMP2MMP3MMP9
SCHEMBL3740388 1.00 EP300 (0.40) EP300MMP1MMP2MMP3MMP9
SCHEMBL3740254 1.00 EP300 (0.40) EP300MMP1MMP2MMP3MMP9
SCHEMBL3742773 1.00 EP300 (0.40) EP300MMP1MMP2MMP3MMP9
SCHEMBL3735983 0.91 EP300 (0.41) EP300MMP1MMP2MMP3MMP9
SCHEMBL3736311 0.91 EP300 (0.41) EP300MMP1MMP2MMP3MMP9
SCHEMBL3735980 0.91 EP300 (0.41) EP300MMP1MMP2MMP3MMP9
SCHEMBL3735988 0.91 EP300 (0.41) EP300MMP1MMP2MMP3MMP9

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 11 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-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US 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
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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 EP300 2131/4885MMP1 4755/4885MMP2 4740/4885

“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.