SCHEMBL220994

SCHEMBL220994

CCOP(=O)(NC(=O)N1c2ccccc2C=Cc2ccccc21)OCC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 15/20 0.54
P2RX1 P51575 4/20 0.50
P2RX3 P56373 4/20 0.50
P2RX7 Q99572 3/20 0.50
PTBP1 P26599 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SCN4A P35499 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45

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
SCHEMBL220840 0.87 P2RX4 (0.59) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL2738800 0.80 P2RX4 (0.51) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL220291 0.80 P2RX4 (0.58) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL2738803 0.79 P2RX4 (0.58) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL15920342 0.76 P2RX4 (0.67) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL21473321 0.75 P2RX4 (0.57) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL11412073 0.74 P2RX4 (0.71) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL2738802 0.74 P2RX4 (0.52) P2RX4P2RX1P2RX3P2RX7MTNR1A
SCHEMBL11113845 0.74 P2RX4 (0.67) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL13051502 0.73 BCHE (0.68) P2RX4P2RX1P2RX3P2RX7PTBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 P2RX4 2185/4885P2RX1 2357/4885P2RX3 1676/4885

“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.