SCHEMBL3258508

SCHEMBL3258508

O=C(O)Nc1cnn(CCN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.48
LMNA P02545 3/20 0.47
TBK1 Q9UHD2 2/20 0.47
CYP2C19 P33261 1/20 0.47
IKBKE Q14164 1/20 0.47
RAB9A P51151 1/20 0.45
JAK2 O60674 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
EPHX2 P34913 1/20 0.43
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
ATM Q13315 1/20 0.42
NAMPT P43490 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
SCHEMBL17850388 0.83 RPS6KA2 (0.56) RPS6KA2LMNATBK1CYP2C19IKBKE
SCHEMBL8178868 0.80 TAS2R8 (0.43) RPS6KA2TBK1IKBKEJAK2KDR
SCHEMBL15317700 0.79 MAPT (0.57) RPS6KA2LMNATBK1IKBKERAB9A
Hydrochloric Acid SCHEMBL3257525 0.78 TAS2R8 (0.43) RPS6KA2TBK1IKBKEJAK2KDR
SCHEMBL2827467 0.78 L3MBTL1 (0.58) TBK1IKBKEJAK2ALDH1A1POLB
SCHEMBL31253871 0.74 CYP11B2 (0.46) TBK1IKBKEALDH1A1
SCHEMBL16095638 0.74 ALDH1A1 (0.40) TBK1IKBKEJAK2ALDH1A1JAK3
SCHEMBL6937374 0.74 JAK2 (0.41) LMNARAB9AJAK2POLBJAK3
SCHEMBL3326129 0.73 ALDH1A1 (0.39) LMNATBK1CYP2C19IKBKEALDH1A1
SCHEMBL23212644 0.73 SCD (0.61) RPS6KA2TBK1CYP2C19IKBKERAB9A

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 6 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
EP-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 US disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 WO 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 RPS6KA2 3631/4885LMNA 1697/4885TBK1 2663/4885

“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.