SCHEMBL493012

SCHEMBL493012

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.34
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.32
AVPR1A P37288 1/20 0.32
AVPR1B P47901 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGIR P43119 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
HTR6 P50406 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
SCHEMBL493133 0.93 BDKRB1 (0.35) BDKRB1ALDH1A1AVPR1AAVPR1BEPHX2
SCHEMBL493157 0.93 AVPR1A (0.39) BDKRB1ALDH1A1AVPR1AAVPR1BEPHX2
SCHEMBL493601 0.93 AVPR1B (0.37) BDKRB1HPGDALDH1A1AVPR1AAVPR1B
SCHEMBL492717 0.93 BDKRB1 (0.33) BDKRB1HPGDALDH1A1AVPR1AAVPR1B
SCHEMBL493722 0.91 AVPR1B (0.37) KCNH2HPGDALDH1A1AVPR1AAVPR1B
SCHEMBL493494 0.90 POLB (0.37) BDKRB1ALDH1A1AVPR1ALMNASMN1; SMN2
SCHEMBL492843 0.86 KDM4E (0.34) BDKRB1HPGDALDH1A1AVPR1AAVPR1B
SCHEMBL493644 0.86 AVPR1A (0.40) BDKRB1AVPR1AAVPR1BEPHX2PTGIR
SCHEMBL493441 0.86 AVPR1A (0.40) ALDH1A1AVPR1AAVPR1BLMNASMN1; SMN2
SCHEMBL493202 0.86 BDKRB1 (0.34) BDKRB1AVPR1AAVPR1BEPHX2

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 BDKRB1 1622/4885KCNH2 1663/4885CYP3A4 465/4885

“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.