SCHEMBL3326129

SCHEMBL3326129

CN(C(=O)O)c1cnn(CCN2CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP11B2 P19099 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PLAU P00749 1/20 0.38
PIK3CD O00329 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HDAC4 P56524 1/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL13335306 0.83 LMNA (0.42) ALDH1A1MAPTCYP11B2IKBKETBK1
SCHEMBL2827467 0.76 L3MBTL1 (0.58) ALDH1A1MAPTKMT2ACYP11B2IKBKE
SCHEMBL28785675 0.76 SMN1; SMN2 (0.38) KMT2ACYP11B2IKBKETBK1PIK3CD
SCHEMBL3258508 0.73 RPS6KA2 (0.48) ALDH1A1IKBKETBK1LMNACYP2C19
SCHEMBL31253871 0.72 CYP11B2 (0.46) ALDH1A1MAPTKMT2ACYP11B2IKBKE
SCHEMBL6937374 0.72 JAK2 (0.41) MAPTKDM5BLMNA
SCHEMBL16095638 0.72 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ACYP11B2IKBKE
SCHEMBL2825278 0.70 KMT2A (0.48) ALDH1A1MAPTKMT2AKDM4ECYP3A4
SCHEMBL12090079 0.70 KDM5B (0.47) ALDH1A1KMT2AKDM5BACHE
SCHEMBL9908370 0.70 TLR7 (0.42) ALDH1A1CYP11B2IKBKETBK1KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 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-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 ALDH1A1 4846/4885MAPT 4380/4885KMT2A 3600/4885

“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.