SCHEMBL3436718

SCHEMBL3436718

Cc1cccnc1N1CCC(C(=O)N(C)CCN(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.42
AOC3 Q16853 1/20 0.42
ELANE P08246 1/20 0.42
PDE10A Q9Y233 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
HSD11B1 P28845 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3436717 0.82 MALT1 (0.52) MALT1KDM4EALDH1A1POLBTRPV1
SCHEMBL3436719 0.80 KDM4E (0.52) MALT1KDM4EALDH1A1POLBKMT2A
SCHEMBL238160 0.79 KDM4E (0.60) MALT1KDM4EALDH1A1KMT2ARECQL
SCHEMBL3436393 0.77 KDM4E (0.66) MALT1KDM4EALDH1A1KMT2ARECQL
SCHEMBL3436726 0.76 MALT1 (0.44) MALT1KDM4EKMT2ARECQLAOC3
SCHEMBL3594750 0.76 MAPT (0.59) MALT1KDM4EALDH1A1POLBKMT2A
SCHEMBL3436720 0.75 MALT1 (0.45) MALT1KDM4EKMT2ARECQLELANE
SCHEMBL30778167 0.75 HSD11B1 (0.47) MALT1KMT2AAOC3PDE10ATRPV1
SCHEMBL3436725 0.75 ELANE (0.53) MALT1KDM4EALDH1A1KMT2ARECQL
SCHEMBL15962970 0.74 TRPV1 (0.49) MALT1KDM4EKMT2AELANETRPV1

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 1638/4885KDM4E 1834/4885ALDH1A1 975/4885

“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.