SCHEMBL3436717

SCHEMBL3436717

Cc1cccnc1N1CCC(C(=O)NCCN(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 3/20 0.49
TP53 P04637 3/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SMO Q99835 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3436719 0.94 KDM4E (0.52) MALT1THRBKDM4ETP53LMNA
SCHEMBL23369819 0.83 THRB (0.45) MALT1THRBKDM4ETP53LMNA
SCHEMBL3436718 0.82 MALT1 (0.46) MALT1KDM4EALDH1A1RXFP1TRPV1
SCHEMBL12321043 0.77 TP53 (0.49) THRBKDM4ETP53LMNAALDH1A1
SCHEMBL238160 0.77 KDM4E (0.60) MALT1KDM4EALDH1A1HPGDTRPV1
SCHEMBL19009094 0.76 CHRM4 (0.46) MALT1THRBKDM4ETP53ALDH1A1
SCHEMBL29722464 0.76 CHRM4 (0.46) MALT1THRBKDM4ETP53ALDH1A1
SCHEMBL13999569 0.76 ALDH1A1 (0.61) MALT1KDM4ELMNAALDH1A1HPGD
SCHEMBL3436393 0.76 KDM4E (0.66) MALT1KDM4ETP53LMNAALDH1A1
SCHEMBL3436733 0.75 MALT1 (0.53) MALT1KDM4EALDH1A1HPGDSMO

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MALT1 1638/4885THRB 1172/4885KDM4E 1834/4885

“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.