SCHEMBL9102412

SCHEMBL9102412

COC(=O)NC(C(=O)N1CC(O)C1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
DPP4 P27487 12/20 0.36
CCR1 P32246 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
DPP7 Q9UHL4 4/20 0.32
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 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
SCHEMBL15457806 0.84 TP53 (0.47) TP53DPP4CCR1ALDH1A1DPP7
SCHEMBL8356758 0.83 TP53 (0.49) TP53DPP4CCR1CA12CA1
SCHEMBL9099990 0.82 AAK1 (0.40) CA1CA2AAK1
SCHEMBL9099994 0.82 AAK1 (0.40) CA1CA2AAK1
SCHEMBL15457807 0.81 DPP4 (0.49) TP53DPP4CCR1DPP7
SCHEMBL18596306 0.79 DPP4 (0.43) TP53DPP4DPP7
SCHEMBL15458248 0.79 DPP4 (0.43) TP53DPP4DPP7
SCHEMBL240589 0.76 MMP2 (0.42) TP53CA12CA1CA2MMP2
SCHEMBL5988909 0.76 MMP2 (0.40) TP53CA12CA1CA2MMP2
SCHEMBL12654802 0.76 MMP2 (0.40) TP53CA12CA1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 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 (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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TP53 3570/4885DPP4 4071/4885CCR1 3647/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TP53 3570/4885DPP4 4071/4885CCR1 3647/4885

“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.