SCHEMBL3429433

SCHEMBL3429433

O=P(O)(O)OCCC1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
CACNA1I Q9P0X4 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
DRD2 P14416 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL3429184 0.91 HRH3 (0.39) ACHEHRH3SLC6A4SLC6A3SLC6A2
SCHEMBL3429431 0.87 SLC6A4 (0.34) ACHEHRH3SLC6A4SLC6A3SLC6A2
SCHEMBL3429181 0.84 HRH3 (0.34) ACHEHRH3SLC6A4SLC6A3SLC6A2
SCHEMBL3430978 0.83 SLC18A3 (0.37) ACHESLC18A3KCNH2KDM4EALDH1A1
SCHEMBL14407788 0.79 ALDH1A1 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3KDM4E
SCHEMBL3428966 0.79 ALDH1A1 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3KDM4E
SCHEMBL3427283 0.76 CSNK2A2 (0.41) HRH3SLC6A4SLC6A3SLC6A2CSNK2A2
SCHEMBL13153710 0.76 SLC18A3 (0.39) ACHEHRH3SLC18A3SLC6A4SLC6A3
SCHEMBL1318049 0.74 SLC18A3 (0.46) ACHEHRH3SLC18A3SLC6A4SLC6A3
SCHEMBL3429542 0.74 MAOB (0.40) ACHEHRH3DRD2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 2078/4885HRH3 1333/4885SLC18A3 2994/4885

“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.