SCHEMBL493518

SCHEMBL493518

CN(C)c1ccccc1CC1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.36
BDKRB1 P46663 3/20 0.36
SLC9A3 P48764 6/20 0.35
GRM5 P41594 1/20 0.35
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
FDFT1 P37268 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
SCHEMBL492816 0.90 BDKRB1 (0.36) BDKRB1SLC9A3KMT2A
SCHEMBL3665067 0.88 KMT2A (0.42) PTGIRTHRBKMT2A
SCHEMBL493266 0.87 BDKRB1 (0.35) BDKRB1SLC9A3KMT2A
SCHEMBL493161 0.87 FDFT1 (0.36) PTGIRSLC9A3GRM5THRBKMT2A
SCHEMBL493517 0.84 BDKRB1 (0.41) BDKRB1
SCHEMBL492844 0.82 PTGIR (0.40) PTGIRBDKRB1SLC9A3KMT2A
SCHEMBL493592 0.82 ALDH1A1 (0.37) KMT2A
SCHEMBL494025 0.81 CXCR3 (0.36) PTGIRBDKRB1SLC9A3
SCHEMBL493109 0.79 SLC9A3 (0.35) PTGIRBDKRB1SLC9A3GRM5
SCHEMBL493688 0.79 PTGIR (0.37) PTGIRBDKRB1SLC9A3KMT2A

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 PTGIR 121/4885BDKRB1 1622/4885SLC9A3 2717/4885

“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.