SCHEMBL492675

SCHEMBL492675

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.41
MAPT P10636 1/20 0.40
AVPR1B P47901 1/20 0.38
ALDH1A1 P00352 1/20 0.37
AVPR1A P37288 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL494004 0.92 BDKRB1 (0.40) BDKRB1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL493118 0.92 BDKRB1 (0.39) BDKRB1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL492971 0.90 AVPR1A (0.41) MAPTAVPR1BALDH1A1AVPR1A
SCHEMBL493158 0.90 BDKRB1 (0.52) BDKRB1
SCHEMBL493144 0.89 BDKRB1 (0.40) BDKRB1AVPR1BAVPR1A
SCHEMBL493310 0.88 BDKRB1 (0.42) BDKRB1MAPTAVPR1BAVPR1A
SCHEMBL493686 0.87 BDKRB1 (0.41) BDKRB1MAPTAVPR1BAVPR1A
SCHEMBL493412 0.87 BDKRB1 (0.42) BDKRB1MAPTAVPR1AGAASMN1; SMN2
SCHEMBL492741 0.86 AVPR1B (0.37) MAPTAVPR1BALDH1A1AVPR1A
SCHEMBL493524 0.86 AVPR1A (0.37) MAPTAVPR1BALDH1A1AVPR1A

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 BDKRB1 1622/4885MAPT 1653/4885AVPR1B 780/4885

“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.