SCHEMBL492648

SCHEMBL492648

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
DRD3 P35462 4/20 0.34
DRD2 P14416 3/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
BDKRB1 P46663 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GAA P10253 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
SCHEMBL493161 0.90 FDFT1 (0.36) KMT2A
SCHEMBL492816 0.87 BDKRB1 (0.36) POLBHPGDKMT2AMEN1MAPT
SCHEMBL493592 0.82 ALDH1A1 (0.37) HTR2ADRD3DRD2HTR1ADRD1
SCHEMBL493266 0.82 BDKRB1 (0.35) POLBHPGDKMT2AMEN1BDKRB1
SCHEMBL492647 0.80 RAB9A (0.34) POLBHPGDKMT2AMEN1MAPT
SCHEMBL493518 0.78 PTGIR (0.36) KMT2ABDKRB1
SCHEMBL493760 0.74 PKM (0.37) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL493066 0.73 RAB9A (0.39) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL493014 0.73 LMNA (0.40) HTR2ADRD3DRD2HTR1ADRD1
SCHEMBL494051 0.73 HPGD (0.34) POLBHPGDKMT2AMEN1MAPT

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 HTR2A 1700/4885DRD3 3401/4885DRD2 3432/4885

“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.