SCHEMBL4820545

SCHEMBL4820545

CC1(C)C[CH]N(C(=O)c2csc(-c3ccncc3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CHEK1 O14757 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
IDE P14735 1/20 0.37
MAPK10 P53779 1/20 0.37
GAA P10253 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL4820548 0.79 HPGD (0.51) HPGDLMNAMAPTCNR1CNR2
SCHEMBL4820539 0.79 HPGD (0.51) HPGDLMNAMAPTCNR1CNR2
SCHEMBL4813102 0.78 ALDH1A1 (0.51) MAPTALDH1A1
SCHEMBL8278408 0.71 HPGD (0.69) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL6202834 0.71 HPGD (0.64) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL27768683 0.70 HPGD (0.68) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL8016141 0.70 HPGD (0.63) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL657641 0.69 ALDH1A1 (0.70) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL4735788 0.68 HPGD (0.64) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL2551476 0.67 HPGD (0.68) HPGDLMNAMAPTMEN1KMT2A

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 HPGD 485/4885LMNA 861/4885MAPT 4467/4885

“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.