SCHEMBL3591095

SCHEMBL3591095

O=CNC(=O)C1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.51
KCNQ2 O43526 1/20 0.51
ANO1 Q5XXA6 3/20 0.44
ROCK1 Q13464 1/20 0.44
PDPK1 O15530 1/20 0.41
P2RX7 Q99572 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 2/20 0.39
HTT P42858 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL29415781 0.80 PIN1 (0.54) PIN1KCNQ2ANO1ROCK1PDPK1
SCHEMBL19207602 0.80 PIN1 (0.54) PIN1KCNQ2ANO1ROCK1PDPK1
SCHEMBL10469672 0.80 PIN1 (0.54) PIN1KCNQ2ANO1ROCK1PDPK1
SCHEMBL4830828 0.77 PIN1 (0.62) PIN1KCNQ2PDPK1CA1CA2
SCHEMBL28937024 0.76 PIN1 (0.56) PIN1KCNQ2ANO1ROCK1PDPK1
SCHEMBL1400973 0.75 PIN1 (0.60) PIN1KCNQ2PDPK1HTT
SCHEMBL12431131 0.75 PIN1 (0.60) PIN1KCNQ2PDPK1HTT
SCHEMBL2790690 0.75 PIN1 (0.60) PIN1KCNQ2PDPK1HTT
SCHEMBL907688 0.75 PIN1 (0.60) PIN1KCNQ2PDPK1HTT
SCHEMBL1567245 0.75 PIN1 (0.60) PIN1KCNQ2ANO1PDPK1CA1

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-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 PIN1 3335/4885KCNQ2 463/4885ANO1 927/4885

“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.