SCHEMBL5657368

SCHEMBL5657368

CCOC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA2A P08913 4/20 0.53
ADRA2B P18089 4/20 0.53
ADRA2C P18825 4/20 0.53
PTGIR P43119 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
MLLT1 Q03111 1/20 0.43

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
SCHEMBL5659486 0.87 ADRA2A (0.57) SMN1; SMN2KMT2AMEN1CYP2C19ADRA2A
SCHEMBL5658814 0.87 ADRA2A (0.59) SMN1; SMN2KMT2AMEN1CYP2C19ADRA2A
SCHEMBL5658117 0.86 ADRA2A (0.59) KMT2AADRA2AADRA2BADRA2CPTGIR
SCHEMBL6157746 0.86 ADRA2A (0.53) SMN1; SMN2KMT2AADRA2AADRA2BADRA2C
SCHEMBL5658337 0.86 ADRA2A (0.55) SMN1; SMN2KMT2AMEN1CYP2C19ADRA2A
SCHEMBL5656488 0.85 ADRA2A (0.58) SMN1; SMN2KMT2AADRA2AADRA2BADRA2C
SCHEMBL5659076 0.85 ADRA2A (0.58) KMT2AADRA2AADRA2BADRA2CPTGIR
SCHEMBL5655767 0.85 PTGIR (0.48) SMN1; SMN2KMT2AADRA2AADRA2BADRA2C
SCHEMBL5657774 0.85 HDAC1 (0.52) SMN1; SMN2ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5654958 0.84 ADRA2A (0.57) ADRA2AADRA2BADRA2CMAPTJAK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US claimed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP claimed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO claimed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US claimed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 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 (2 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR SMN1; SMN2 4654/4885KMT2A 4094/4885MEN1 3607/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR SMN1; SMN2 4060/4885KMT2A 3904/4885MEN1 3460/4885

“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.