SCHEMBL492872

SCHEMBL492872

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 4/20 0.40
BDKRB1 P46663 12/20 0.39
AVPR1A P37288 1/20 0.36
F2 P00734 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
SCHEMBL493826 0.92 CXCR3 (0.39) AVPR1BAVPR1AF2
SCHEMBL493586 0.92 AVPR1B (0.38) AVPR1BAVPR1AF2
SCHEMBL494402 0.91 BDKRB1 (0.48) BDKRB1
SCHEMBL493144 0.87 BDKRB1 (0.40) AVPR1BBDKRB1AVPR1A
SCHEMBL493295 0.86 PDE4D (0.42)
SCHEMBL493250 0.86 EPHX2 (0.42) AVPR1BAVPR1A
SCHEMBL493574 0.85 AVPR1B (0.43) AVPR1BAVPR1A
SCHEMBL494025 0.85 CXCR3 (0.36) BDKRB1
SCHEMBL493317 0.85 BDKRB1 (0.40) BDKRB1
SCHEMBL493549 0.84 CXCR3 (0.49)

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 780/4885BDKRB1 1622/4885AVPR1A 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.