SCHEMBL493133

SCHEMBL493133

CCN(CCOCC(=O)NCCC1CCC(C(c2ccc(F)cc2)N(C)C)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.35
AVPR1B P47901 2/20 0.33
AVPR1A P37288 1/20 0.33
EPHX2 P34913 1/20 0.31
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL493644 0.93 AVPR1A (0.40) BDKRB1AVPR1BAVPR1AEPHX2
SCHEMBL493012 0.93 BDKRB1 (0.34) BDKRB1AVPR1BAVPR1AEPHX2KMT2A
SCHEMBL493202 0.93 BDKRB1 (0.34) BDKRB1AVPR1BAVPR1AEPHX2
SCHEMBL492944 0.92 BDKRB1 (0.42) BDKRB1AVPR1A
SCHEMBL494497 0.92 AVPR1B (0.38) BDKRB1AVPR1BAVPR1AALDH1A1
SCHEMBL493494 0.89 POLB (0.37) BDKRB1AVPR1AALDH1A1
SCHEMBL492786 0.87 BDKRB1 (0.34) BDKRB1AVPR1BAVPR1AEPHX2KMT2A
SCHEMBL493157 0.86 AVPR1A (0.39) BDKRB1AVPR1BAVPR1AEPHX2KMT2A
SCHEMBL493601 0.86 AVPR1B (0.37) BDKRB1AVPR1BAVPR1AEPHX2ALDH1A1
SCHEMBL492717 0.86 BDKRB1 (0.33) BDKRB1AVPR1BAVPR1AEPHX2ALDH1A1

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 BDKRB1 1622/4885AVPR1B 780/4885AVPR1A 537/4885

“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.