SCHEMBL4815658

SCHEMBL4815658

CC1(C)CCN(c2nc3ccccc3s2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.58
DDB1 Q16531 2/20 0.58
RAB9A P51151 11/20 0.56
NPC1 O15118 10/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPY5R Q15761 1/20 0.52
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL4815655 1.00 CRBN (0.58) CRBNDDB1RAB9ANPC1SMN1; SMN2
SCHEMBL715696 0.79 RAB9A (0.63) CRBNDDB1RAB9ANPC1SMN1; SMN2
SCHEMBL8526236 0.76 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL30576785 0.75 RAB9A (0.67) CRBNDDB1RAB9ANPC1SMN1; SMN2
SCHEMBL26606463 0.75 RAB9A (0.67) CRBNDDB1RAB9ANPC1SMN1; SMN2
SCHEMBL6125228 0.75 RAB9A (0.70) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL1713549 0.74 RAB9A (0.71) CRBNRAB9ANPC1SMN1; SMN2POLB
SCHEMBL11783793 0.74 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL7217567 0.74 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23067574 0.74 CRBN (1.00) CRBNDDB1RAB9ANPC1SMN1; SMN2

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 11 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
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US claimed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 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
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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 (2 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS CRBN 1248/4885DDB1 2656/4885RAB9A 3787/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD CRBN 4242/4885DDB1 2993/4885RAB9A 1430/4885

“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.