SCHEMBL4136145

SCHEMBL4136145

CCC(NC(=O)NC1CCCCC1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.64
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.50
EPHX2 P34913 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP3A4 P08684 1/20 0.50
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5560557 0.86 EPHX1 (0.56) EPHX1LMNAALDH1A1EPHX2KDM4E
SCHEMBL6872551 0.78 EPHX1 (0.60) EPHX1LMNAALDH1A1EPHX2KDM4E
SCHEMBL12196071 0.78 EPHX1 (1.00) EPHX1ALDH1A1EPHX2KDM4ESMN1; SMN2
SCHEMBL14424447 0.75 EPHX1 (0.66) EPHX1LMNAALDH1A1EPHX2KDM4E
SCHEMBL8250809 0.75 EPHX1 (0.70) EPHX1LMNAALDH1A1EPHX2KDM4E
SCHEMBL5554317 0.75 LMNA (0.63) EPHX1LMNAEPHX2SMN1; SMN2
SCHEMBL15414684 0.74 EPHX1 (0.39) EPHX1ALDH1A1EPHX2KDM4E
SCHEMBL9112730 0.73 LMNA (0.61) EPHX1LMNAALDH1A1EPHX2KDM4E
SCHEMBL9112727 0.73 LMNA (0.61) EPHX1LMNAALDH1A1EPHX2KDM4E
SCHEMBL2500706 0.73 EPHX1 (0.54) EPHX1LMNAALDH1A1EPHX2KDM4E

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 EPHX1 1948/4885LMNA 3671/4885ALDH1A1 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.