SCHEMBL493308

SCHEMBL493308

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCCC2CCC(C(c3cccs3)N(C)C)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.37
AVPR1A P37288 7/20 0.37
BDKRB1 P46663 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL493350 0.92 BDKRB1 (0.40) BDKRB1ALDH1A1
SCHEMBL492786 0.92 BDKRB1 (0.34) AVPR1BAVPR1ABDKRB1ALDH1A1LMNA
SCHEMBL493080 0.90 BDKRB1 (0.42) AVPR1BBDKRB1KDM4E
SCHEMBL493922 0.88 AVPR1A (0.39) AVPR1BAVPR1ALMNAHTTSMN1; SMN2
SCHEMBL494497 0.88 AVPR1B (0.38) AVPR1BAVPR1ABDKRB1ALDH1A1LMNA
SCHEMBL493788 0.87 AVPR1B (0.37) AVPR1BAVPR1ABDKRB1ALDH1A1LMNA
SCHEMBL492680 0.87 KMT2A (0.41) LMNAMEN1HTTKMT2A
SCHEMBL492843 0.86 KDM4E (0.34) AVPR1BAVPR1ABDKRB1ALDH1A1LMNA
SCHEMBL493441 0.84 AVPR1A (0.40) AVPR1BAVPR1AALDH1A1LMNAF2
SCHEMBL493374 0.84 EPHX2 (0.42) AVPR1BBDKRB1ALDH1A1KDM4EMEN1

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD AVPR1B 780/4885AVPR1A 537/4885BDKRB1 1622/4885

“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.