SCHEMBL493437

SCHEMBL493437

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NC2CCC(C(c3cccc(F)c3)N(C)C)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.38
AVPR1B P47901 4/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
F2 P00734 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRL1 P41146 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL492971 0.94 AVPR1A (0.41) AVPR1AAVPR1BALDH1A1LMNAF2
SCHEMBL493524 0.93 AVPR1A (0.37) AVPR1AAVPR1BALDH1A1LMNAF2
SCHEMBL492727 0.92 MAPT (0.34) AVPR1AAVPR1BALDH1A1LMNAMAPT
SCHEMBL493394 0.91 BDKRB1 (0.39) OPRL1
SCHEMBL493247 0.91 AVPR1A (0.37) AVPR1AAVPR1BALDH1A1LMNAF2
SCHEMBL493788 0.90 AVPR1B (0.37) AVPR1AAVPR1BALDH1A1LMNAF2
SCHEMBL493118 0.90 BDKRB1 (0.39) ALDH1A1MAPTOPRL1PKM
SCHEMBL493377 0.87 NPSR1 (0.42) LMNANPSR1OPRL1PKMTSHR
SCHEMBL493107 0.85 BDKRB1 (0.42)
SCHEMBL492675 0.85 BDKRB1 (0.41) AVPR1AAVPR1BALDH1A1MAPTPKM

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 AVPR1A 537/4885AVPR1B 780/4885ALDH1A1 1349/4885

“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.