Sugi Predict

Sugi Predict / Compounds / SCHEMBL493531

SCHEMBL493531

SCHEMBL493531

CN(Cc1ccccc1)C(c1ccccc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 4/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A2 P23975 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
SCHEMBL493100 0.92 ALDH1A1 (0.35) BDKRB1MCHR1L3MBTL1ALDH1A1POLB
SCHEMBL492815 0.91 BDKRB1 (0.36) BDKRB1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL493265 0.87 BDKRB1 (0.35) BDKRB1ALDH1A1POLBHPGDLMNA
SCHEMBL493938 0.86 BDKRB1 (0.36) BDKRB1MCHR1L3MBTL1ALDH1A1LMNA
SCHEMBL493180 0.85 L3MBTL1 (0.36) BDKRB1MCHR1L3MBTL1ALDH1A1POLB
SCHEMBL492955 0.85 BDKRB1 (0.41) BDKRB1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL492775 0.83 ALDH1A1 (0.37) MCHR1L3MBTL1ALDH1A1POLBHPGD
SCHEMBL492948 0.83 LMNA (0.37) BDKRB1ALDH1A1POLBHPGDLMNA
SCHEMBL492975 0.83 CACNA2D1 (0.37) BDKRB1L3MBTL1ALDH1A1POLBLMNA
SCHEMBL493098 0.83 OPRL1 (0.38) BDKRB1ALDH1A1POLBHPGDNPSR1

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 1622/4885MCHR1 4667/4885L3MBTL1 4753/4885

“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.