SCHEMBL13017809

SCHEMBL13017809

[C-]#[N+]c1cc(NC(=O)CCN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)cnc1N1CCC(CN(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.47
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRK1 P41145 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
SCHEMBL13017810 0.93 BDKRB1 (0.53) BDKRB1OPRK1
SCHEMBL10118681 0.92 BDKRB1 (0.48) BDKRB1KDM4EHSD17B10OPRK1
SCHEMBL13017811 0.91 BDKRB1 (0.48) BDKRB1OPRK1
SCHEMBL3440527 0.88 BDKRB1 (0.45) BDKRB1KDM4EHSD17B10
SCHEMBL3440390 0.85 BDKRB1 (0.46) BDKRB1KDM4EHSD17B10OPRK1
SCHEMBL3440332 0.85 BDKRB1 (0.56) BDKRB1OPRK1
SCHEMBL3440326 0.82 BDKRB1 (0.49) BDKRB1OPRK1
SCHEMBL3440405 0.82 BDKRB1 (0.53) BDKRB1KDM4EHSD17B10
SCHEMBL3440404 0.79 BDKRB1 (0.46) BDKRB1OPRK1
SCHEMBL3440302 0.79 BDKRB1 (0.46) BDKRB1KDM4EHSD17B10

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-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 BDKRB1 6/4885KDM4E 3277/4885HSD17B10 854/4885

“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.