SCHEMBL3428614

SCHEMBL3428614

[O]CCCN1CCC(COP(=O)(O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
THRB P10828 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
FBP1 P09467 1/20 0.31
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 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
SCHEMBL3429541 0.91 SIGMAR1 (0.33) FBP1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3428619 0.88 MAOB (0.36) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL3429538 0.82 CHRNB4 (0.35) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3430974 0.81 FBP1 (0.34) FBP1
SCHEMBL3429181 0.79 HRH3 (0.34)
SCHEMBL3429542 0.78 MAOB (0.40) FBP1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3427122 0.78 GRIN2D (0.31) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL3429539 0.76 ACHE (0.36) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3429372 0.75 ARG1 (0.45) CYP2C19
SCHEMBL3427082 0.75 ARG1 (0.45) CYP2C19

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-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

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 GRIN2D 4158/4885GRIN3B 4240/4885THRB 4650/4885

“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.