SCHEMBL4822591

SCHEMBL4822591

CC1(C)CCN(C(=O)NCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
USP19 O94966 4/20 0.53
HRH3 Q9Y5N1 1/20 0.52
EPHX2 P34913 3/20 0.52
EPHX1 P07099 2/20 0.52
CYP2D6 P10635 1/20 0.52
TPSAB1 Q15661 1/20 0.51
TP53 P04637 1/20 0.51
SCN5A Q14524 1/20 0.51
SMO Q99835 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49

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
SCHEMBL4822603 1.00 KDM4E (0.59) KDM4ENPSR1MEN1KMT2AUSP19
SCHEMBL4817652 0.86 EPHX2 (0.62) KDM4EEPHX2EPHX1CYP2D6TPSAB1
SCHEMBL4817632 0.86 EPHX2 (0.62) KDM4EEPHX2EPHX1CYP2D6TPSAB1
SCHEMBL4197501 0.78 KDM4E (0.69) KDM4ENPSR1MEN1KMT2AHRH3
SCHEMBL5800630 0.78 KDM4E (0.69) KDM4ENPSR1MEN1KMT2AHRH3
SCHEMBL4819767 0.77 CRBN (0.58) KDM4EMEN1KMT2ATP53
SCHEMBL4819135 0.77 CYP2C19 (0.61) KDM4EEPHX2CYP2D6
SCHEMBL4819125 0.77 CYP2C19 (0.61) KDM4EEPHX2CYP2D6
SCHEMBL14479131 0.77 KDM4E (0.73) KDM4ENPSR1MEN1KMT2AHRH3
SCHEMBL5471150 0.77 MEN1 (0.75) KDM4ENPSR1MEN1KMT2AHRH3

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-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 KDM4E 209/4885NPSR1 1745/4885MEN1 3686/4885

“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.