SCHEMBL4136042

SCHEMBL4136042

CC(C)C[C@H](NC(=O)OCC1CCCC1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CNR2 P34972 12/20 0.46
CNR1 P21554 8/20 0.44
CTSS P25774 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4144410 0.99 CTSK (0.55) CTSKCNR2CNR1CTSSSMN1; SMN2
SCHEMBL7340009 0.86 CTSK (0.56) CTSKCTSSSMN1; SMN2
SCHEMBL7340018 0.86 CTSK (0.56) CTSKCTSSSMN1; SMN2
SCHEMBL13293247 0.80 CTSK (0.45) CTSK
SCHEMBL8823956 0.79 CTSK (0.53) CTSKCTSSSMN1; SMN2
SCHEMBL8823957 0.78 CTSK (0.55) CTSKCTSSSMN1; SMN2
SCHEMBL11977974 0.78 CTSK (0.47) CTSK
SCHEMBL4134832 0.78 CNR2 (0.43) CNR2CNR1SMN1; SMN2
SCHEMBL7769892 0.77 PPID (0.42) CTSKCNR1
SCHEMBL7883345 0.77 SMN1; SMN2 (0.45) CTSKCNR2CTSSSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CTSK 3473/4885CNR2 57/4885CNR1 67/4885

“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.