SCHEMBL4139482

SCHEMBL4139482

COC[C@@H](CN(CCCCN(C)S(=O)(=O)c1ccccc1C#N)C(=O)NC(C)C)OC(=O)Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
BDKRB1 P46663 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
GSTO1 P78417 1/20 0.32
F2R P25116 1/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 3/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DRD4 P21917 1/20 0.31
SLC6A2 P23975 1/20 0.31
CCKAR P32238 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4139487 1.00 LMNA (0.38) LMNABDKRB1ALDH1A1HTTLIPG
SCHEMBL13889917 0.88 LIPG (0.34) LMNAALDH1A1HTTLIPGGSTO1
SCHEMBL4135313 0.85 KMT2A (0.39) LMNABDKRB1HTTLIPGSMN1; SMN2
SCHEMBL4135963 0.83 LMNA (0.48) LMNABDKRB1ALDH1A1HTTGSTO1
SCHEMBL4136559 0.80 LMNA (0.38) LMNAALDH1A1PTGESHDAC1HDAC6
SCHEMBL4136566 0.80 LMNA (0.38) LMNAALDH1A1PTGESHDAC1HDAC6
SCHEMBL4768084 0.79 MEN1 (0.37) LMNAALDH1A1HTTLIPGSMN1; SMN2
SCHEMBL4143468 0.79 LMNA (0.39) LMNAALDH1A1SMN1; SMN2PTGESHDAC1
SCHEMBL4143475 0.79 LMNA (0.39) LMNAALDH1A1SMN1; SMN2PTGESHDAC1
SCHEMBL4140574 0.78 LMNA (0.42) LMNAALDH1A1PTGESHDAC1HDAC6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 LMNA 3671/4885BDKRB1 38/4885ALDH1A1 1565/4885

“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.