SCHEMBL4822600

SCHEMBL4822600

CC1(C)C[CH]N(C(=O)NCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RX4 Q99571 1/20 0.43
ELANE P08246 1/20 0.43
P2RX7 Q99572 1/20 0.43
BCHE P06276 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
DRD4 P21917 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL4817641 0.86 EPHX1 (0.47) SMN1; SMN2NPSR1P2RX4P2RX7BCHE
SCHEMBL4819758 0.79 ALDH1A1 (0.50) KDM4ESMN1; SMN2MEN1KMT2ABCHE
SCHEMBL4822591 0.75 KDM4E (0.59) KDM4EMEN1KMT2ANPSR1HRH3
SCHEMBL4822603 0.75 KDM4E (0.59) KDM4EMEN1KMT2ANPSR1HRH3
SCHEMBL4818504 0.74 HDAC3 (0.47) SMN1; SMN2MEN1KMT2ANPSR1BCHE
SCHEMBL4814895 0.71 NAAA (0.50) SMN1; SMN2MEN1KMT2ABCHEHRH3
SCHEMBL714625 0.68 EPHX1 (0.77) KDM4ESMN1; SMN2MEN1KMT2AP2RX7
SCHEMBL4197501 0.67 KDM4E (0.69) KDM4ESMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL5800630 0.67 KDM4E (0.69) KDM4ESMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL5471150 0.67 MEN1 (0.75) KDM4ESMN1; SMN2MEN1KMT2ANPSR1

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 209/4885SMN1; SMN2 4728/4885MEN1 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.