SCHEMBL3735962

SCHEMBL3735962

CNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cccnc1OC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.45
HCRTR2 O43614 13/20 0.45
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38
PPIA P62937 1/20 0.38
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3735959 1.00 HCRTR1 (0.45) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3735967 1.00 HCRTR1 (0.45) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3735965 1.00 HCRTR1 (0.45) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3734725 0.90 HCRTR1 (0.47) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3729512 0.90 HCRTR1 (0.47) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3735998 0.90 BLM (0.45) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3737907 0.90 BLM (0.45) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3735994 0.90 BLM (0.45) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3736005 0.90 BLM (0.45) MMP1MMP2MMP3MMP9MMP14
SCHEMBL3729513 0.90 HCRTR1 (0.47) HCRTR1HCRTR2MMP1MMP2MMP3

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 HCRTR1 1/4885HCRTR2 2/4885MMP1 4755/4885

“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.