SCHEMBL493157

SCHEMBL493157

CCN(CCOCC(=O)NCC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.39
EPHX2 P34913 1/20 0.38
BDKRB1 P46663 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
AVPR1B P47901 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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) AVPR1AEPHX2BDKRB1AVPR1B
SCHEMBL493012 0.93 BDKRB1 (0.34) AVPR1AEPHX2BDKRB1ALDH1A1LMNA
SCHEMBL493601 0.93 AVPR1B (0.37) AVPR1AEPHX2BDKRB1ALDH1A1LMNA
SCHEMBL493122 0.92 AVPR1A (0.40) AVPR1AEPHX2BDKRB1
SCHEMBL493275 0.91 AVPR1A (0.40) AVPR1AEPHX2ALDH1A1LMNAGAA
SCHEMBL492717 0.89 BDKRB1 (0.33) AVPR1AEPHX2BDKRB1ALDH1A1LMNA
SCHEMBL492843 0.86 KDM4E (0.34) AVPR1AEPHX2BDKRB1ALDH1A1LMNA
SCHEMBL493133 0.86 BDKRB1 (0.35) AVPR1AEPHX2BDKRB1ALDH1A1AVPR1B
SCHEMBL493441 0.86 AVPR1A (0.40) AVPR1AALDH1A1LMNAAVPR1BSMN1; SMN2
SCHEMBL493207 0.85 BDKRB1 (0.42) AVPR1AEPHX2BDKRB1

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 AVPR1A 537/4885EPHX2 2567/4885BDKRB1 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.