SCHEMBL4813577

SCHEMBL4813577

CC1(C)C[CH]N(C(=O)Nc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
EPHX2 P34913 4/20 0.47
TGM2 P21980 1/20 0.46
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HPGDS O60760 1/20 0.44
TRPV1 Q8NER1 3/20 0.43
KIF11 P52732 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4819527 0.78 NAMPT (0.49) NAMPTEPHX2MAPTRAB9AALDH1A1
SCHEMBL4813571 0.77 EPHX2 (0.61) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL4813582 0.77 EPHX2 (0.61) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL4819041 0.71 NAMPT (0.53) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL14306236 0.69 MAPT (0.69) NAMPTEPHX2TGM2MAPTCNR1
SCHEMBL4559682 0.69 MAPT (0.73) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL15134839 0.69 EPHX2 (0.69) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL22568273 0.69 NAMPT (0.50) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL6153200 0.68 KMT2A (0.69) NAMPTEPHX2MAPTCNR1CNR2
SCHEMBL6986848 0.68 MAPT (0.47) NAMPTEPHX2MAPTCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP claimed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO 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-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD NAMPT 736/4885EPHX2 2408/4885TGM2 2366/4885

“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.