SCHEMBL1789646

SCHEMBL1789646

CC(C)c1nn(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.44
▸ P2RX7 Q99572 7/20 0.40
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL30795057 1.00 NLRP3 (0.44) NLRP3P2RX7GLAKMT2AGPR55
SCHEMBL1789170 0.85 P2RX7 (0.51) P2RX7GLAKMT2AHSD11B1
SCHEMBL30796577 0.85 P2RX7 (0.51) P2RX7GLAKMT2AHSD11B1
SCHEMBL1789341 0.77 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL30795763 0.77 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL30794468 0.76 KDM4E (0.44) P2RX7GLAKMT2A
SCHEMBL1787781 0.76 KDM4E (0.44) P2RX7GLAKMT2A
SCHEMBL30794744 0.76 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL1785619 0.76 P2RX7 (0.42) P2RX7KMT2A
SCHEMBL1791915 0.75 P2RX7 (0.48) P2RX7GLAKMT2A

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 6 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
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
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 NLRP3 1371/4885P2RX7 197/4885GLA 3912/4885

“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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