SCHEMBL3429472

SCHEMBL3429472

[O]CC1CCN(CCO)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PKM P14618 1/20 0.32
HSD11B1 P28845 1/20 0.32
KDM1A O60341 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL17419091 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL16109491 0.87 SLC18A3 (0.44) SLC18A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL27559112 0.86 ARG1 (0.35) ARG1ARG2
SCHEMBL3429474 0.83 ARG1 (0.42) SLC18A3ARG1ARG2ALDH1A1KDM4E
SCHEMBL16337954 0.79 SLC18A3 (0.38) SLC18A3ARG1ARG2ALDH1A1KDM4E
SCHEMBL15038169 0.79 SLC18A3 (0.38) SLC18A3ARG1ARG2ALDH1A1KDM4E
SCHEMBL23023338 0.79 SLC18A3 (0.35) SLC18A3ARG1ARG2ALDH1A1KDM4E
SCHEMBL16109628 0.76
SCHEMBL4293849 0.75 SLC18A3 (0.42) SLC18A3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL23178869 0.75 SLC18A3 (0.35) SLC18A3ARG1ARG2ALDH1A1KDM4E

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
CN-1809557-B Compound ASTRAZENECA AB 2012-07-04 CN disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SLC18A3 2994/4885ARG1 2299/4885ARG2 1645/4885

“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.