SCHEMBL3428619

SCHEMBL3428619

O=P(O)(O)OCC1CCN(CCCO)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
ACHE P22303 2/20 0.36
ALB P02768 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
THRB P10828 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
CHRNB2 P17787 5/20 0.32
CHRNA4 P43681 5/20 0.32
CHRNB4 P30926 4/20 0.32

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
SCHEMBL3429542 0.91 MAOB (0.40) MAOBACHEALBCHRNB2CHRNA4
SCHEMBL3428614 0.88 GRIN2D (0.31) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL3429539 0.82 ACHE (0.36) MAOBACHECHRNB2CHRNA4CHRNB4
SCHEMBL3430978 0.81 SLC18A3 (0.37) MAOBACHEALBLMNACHRNB2
SCHEMBL3429184 0.79 HRH3 (0.39) MAOBACHEALBCHRM2CHRM4
SCHEMBL3429541 0.78 SIGMAR1 (0.33) MAOBACHEALBCHRNB2CHRNA4
SCHEMBL3429538 0.76 CHRNB4 (0.35) MAOBACHECHRNB2CHRNA4CHRNB4
SCHEMBL3430025 0.75 ARG1 (0.38) ACHECYP2C19ARG1ARG2
SCHEMBL2114375 0.75 GBA1 (0.36) MAOBACHEALB
SCHEMBL3427083 0.75 ARG1 (0.43) MAOBACHEALBARG1ARG2

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 MAOB 390/4885ACHE 2078/4885ALB 2197/4885

“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.