SCHEMBL4900649

SCHEMBL4900649

O=C(O)C1CNCCN1Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL2438024 0.85 GRM6 (0.48) ALDH1A1MAPT
SCHEMBL30867774 0.85 GRM6 (0.48) ALDH1A1MAPT
SCHEMBL4900762 0.84 RORC (0.46) KDM4EALDH1A1CHRNB2CHRNA4MAPT
SCHEMBL1817493 0.81 KDM4E (0.67) KDM4EPOLBALDH1A1TP53MDM2
SCHEMBL2031815 0.81 KDM4E (0.67) KDM4EPOLBALDH1A1TP53MDM2
SCHEMBL27930152 0.80 CHRNB2 (0.46) KDM4EPOLBALDH1A1TP53MDM2
SCHEMBL28290433 0.79 KDM4E (0.55) KDM4EPOLBTP53MDM2CHRNB2
SCHEMBL4629587 0.79 CHRNB2 (0.44) KDM4EPOLBALDH1A1TP53MDM2
SCHEMBL27712915 0.77 SIGMAR1 (0.47) ALDH1A1MAPT
SCHEMBL31297396 0.76 CHRNB2 (0.44) KDM4EPOLBALDH1A1TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 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-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 KDM4E 3213/4885POLB 2103/4885ALDH1A1 3485/4885

“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.