SCHEMBL494497

SCHEMBL494497

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.38
AVPR1A P37288 7/20 0.36
BDKRB1 P46663 1/20 0.33
HCRTR2 O43614 1/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS2R14 Q9NYV8 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
SCHEMBL493788 0.94 AVPR1B (0.37) AVPR1BAVPR1ABDKRB1F2ALDH1A1
SCHEMBL493922 0.94 AVPR1A (0.39) AVPR1BAVPR1ALMNASMN1; SMN2TAS2R14
SCHEMBL493722 0.94 AVPR1B (0.37) AVPR1BAVPR1AHCRTR2F2ALDH1A1
SCHEMBL493132 0.92 BDKRB1 (0.41) BDKRB1TAS2R14
SCHEMBL493133 0.92 BDKRB1 (0.35) AVPR1BAVPR1ABDKRB1ALDH1A1
SCHEMBL493524 0.90 AVPR1A (0.37) AVPR1BAVPR1AHCRTR2F2ALDH1A1
SCHEMBL492944 0.90 BDKRB1 (0.42) AVPR1ABDKRB1
SCHEMBL493441 0.89 AVPR1A (0.40) AVPR1BAVPR1AF2ALDH1A1LMNA
SCHEMBL493308 0.88 AVPR1B (0.37) AVPR1BAVPR1ABDKRB1F2ALDH1A1
SCHEMBL493247 0.87 AVPR1A (0.37) AVPR1BAVPR1AF2ALDH1A1LMNA

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 780/4885AVPR1A 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.