SCHEMBL5656497

SCHEMBL5656497

CN(C)c1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
ADRA2A P08913 7/20 0.56
ADRA2B P18089 7/20 0.56
ADRA2C P18825 7/20 0.56
CA2 P00918 1/20 0.52
PTGIR P43119 4/20 0.51
NAMPT P43490 1/20 0.51
MAPT P10636 2/20 0.49
MLLT1 Q03111 1/20 0.49
HDAC4 P56524 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL5660506 0.89 ADRA2A (0.68) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5657415 0.89 ADRA2A (0.59) KDM4EALDH1A1HTTADRA2AADRA2B
SCHEMBL5658659 0.89 ADRA2A (0.63) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5658627 0.89 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5657241 0.87 ADRA2A (0.60) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5656678 0.87 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRMLLT1
SCHEMBL5659119 0.87 PTGIR (0.59) ADRA2AADRA2BADRA2CPTGIRNAMPT
SCHEMBL5656503 0.86 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRNAMPT
SCHEMBL5657222 0.86 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRNAMPT
SCHEMBL5659779 0.86 ADRA2A (0.59) ADRA2AADRA2BADRA2CCA2PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR KDM4E 3464/4885ALDH1A1 2894/4885HTT 3848/4885

“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.