SCHEMBL3735323

SCHEMBL3735323

CNC(=O)C(N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cccc(C)n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.43
HCRTR2 O43614 19/20 0.43
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL3732376 1.00 HCRTR1 (0.43) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3729430 1.00 HCRTR1 (0.43) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3732374 1.00 HCRTR1 (0.43) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3729427 1.00 HCRTR1 (0.43) HCRTR1HCRTR2MMP1MMP2MMP3
SCHEMBL3733775 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3733768 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3733769 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3733771 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL14238594 0.89 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL3732574 0.88 HCRTR1 (0.43) 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 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 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.