SCHEMBL3873105

SCHEMBL3873105

CC[C@H](NC(=O)[CH]CC(F)(F)C(N)=O)[C@H](O)c1nc(C2CC2)no1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL3871972 0.87
SCHEMBL3871946 0.80
SCHEMBL3873107 0.77 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL8292289 0.74 CA1 (0.36)
SCHEMBL3871976 0.74 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL3871136 0.71
SCHEMBL8362651 0.68 POLB (0.34) HCRTR1HCRTR2
SCHEMBL3870481 0.68 POLB (0.34) HCRTR1HCRTR2
SCHEMBL3870480 0.68 POLB (0.34) HCRTR1HCRTR2
SCHEMBL3870025 0.67 PDK1 (0.33)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK HCRTR1 3384/4885HCRTR2 3732/4885

“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.