SCHEMBL493161

SCHEMBL493161

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.36
GRM5 P41594 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC9A3 P48764 3/20 0.33
CNR2 P34972 3/20 0.33
CXCR3 P49682 2/20 0.33
PTGIR P43119 3/20 0.33
THRB P10828 1/20 0.33
FBP1 P09467 1/20 0.32
CNR1 P21554 2/20 0.32

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
SCHEMBL492648 0.90 HTR2A (0.34) KMT2A
SCHEMBL493518 0.87 PTGIR (0.36) FDFT1GRM5KMT2ASLC9A3PTGIR
SCHEMBL493160 0.82 PTGIR (0.36) FDFT1GRM5KMT2ASLC9A3CXCR3
SCHEMBL492816 0.78 BDKRB1 (0.36) KMT2ASLC9A3
SCHEMBL493266 0.75 BDKRB1 (0.35) KMT2ASLC9A3
SCHEMBL3665067 0.75 KMT2A (0.42) KMT2ACXCR3PTGIRTHRB
SCHEMBL493592 0.74 ALDH1A1 (0.37) KMT2A
SCHEMBL493466 0.73 LMNA (0.39) THRB
SCHEMBL493624 0.73 FDFT1 (0.35) FDFT1GRM5KMT2A
SCHEMBL493517 0.71 BDKRB1 (0.41)

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 FDFT1 1192/4885GRM5 1566/4885KMT2A 1749/4885

“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.