SCHEMBL3436727

SCHEMBL3436727

CCCN1CCN(C(=O)C2CCN(c3ncccc3C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
UBE2N P61088 1/20 0.52
TRPV1 Q8NER1 3/20 0.47
DRD4 P21917 1/20 0.46
MALT1 Q9UDY8 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
SMO Q99835 1/20 0.44
CCR6 P51684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL3436582 0.87 POLB (0.52) KMT2AMEN1UBE2NTRPV1MALT1
SCHEMBL3436730 0.85 TRPV1 (0.52) KMT2AMEN1TRPV1MALT1SMO
SCHEMBL3436723 0.83 HTT (0.52) KMT2AMEN1UBE2NTRPV1MALT1
SCHEMBL3436725 0.82 ELANE (0.53) KMT2ATRPV1MALT1SMOKDM4E
SCHEMBL3436721 0.82 ALOX15 (0.58) KMT2ACCR6
SCHEMBL3436729 0.81 CHRM4 (0.55) KMT2AMEN1TRPV1MALT1KDM4E
SCHEMBL3436732 0.79 HRH3 (0.48) KMT2AMEN1TRPV1MALT1HRH3
SCHEMBL238160 0.77 KDM4E (0.60) KMT2ATRPV1MALT1KDM4EHSD17B10
SCHEMBL3594750 0.76 MAPT (0.59) KMT2AMEN1MALT1KDM4E
SCHEMBL3436393 0.76 KDM4E (0.66) KMT2ATRPV1MALT1KDM4E

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-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

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 KMT2A 1707/4885MEN1 4778/4885UBE2N 2494/4885

“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.