SCHEMBL1789170

SCHEMBL1789170

CC(C)c1nn(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.51
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30796577 1.00 P2RX7 (0.51) P2RX7POLBKMT2AMEN1GLA
SCHEMBL1785619 0.90 P2RX7 (0.42) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL30794744 0.90 P2RX7 (0.42) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL1789341 0.89 P2RX7 (0.42) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL30795763 0.89 P2RX7 (0.42) P2RX7POLBKMT2AMEN1KDM4E
SCHEMBL1788161 0.87 P2RX7 (0.39) P2RX7POLB
SCHEMBL30796137 0.87 P2RX7 (0.39) P2RX7POLB
SCHEMBL1789646 0.85 NLRP3 (0.44) P2RX7KMT2AGLAHSD11B1
SCHEMBL30795057 0.85 NLRP3 (0.44) P2RX7KMT2AGLAHSD11B1
SCHEMBL1785159 0.84 P2RX7 (0.47) P2RX7POLBKMT2AMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US claimed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP claimed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 P2RX7 197/4885POLB 4381/4885KMT2A 474/4885

“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.

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