SCHEMBL3429142

SCHEMBL3429142

O=P(O)(O)OCCN(CCCO)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 4/20 0.33
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
ALOX5 P09917 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
SCHEMBL3428691 0.94 LPAR3 (0.33) LPAR3LPAR1LPAR2
SCHEMBL3429140 0.88 OPRM1 (0.33) OPRM1OPRD1OPRK1LPAR3LPAR1
SCHEMBL3428688 0.82 LPAR3 (0.33) LPAR3LPAR1LPAR2
SCHEMBL3427350 0.77 LPAR3 (0.38) LPAR3LPAR1LPAR2
SCHEMBL3429248 0.77 OPRM1 (0.42) OPRM1OPRD1OPRK1ALOX5
SCHEMBL3430770 0.77 LPAR3 (0.33) LPAR3LPAR1LPAR2
SCHEMBL3429557 0.76 LPAR3 (0.33) LPAR3LPAR1LPAR2
SCHEMBL15780665 0.75 MVD (0.40) LPAR3LPAR1LPAR2ALOX5
SCHEMBL21359084 0.75 OPRM1 (0.42) OPRM1OPRD1OPRK1ALOX5
SCHEMBL3427762 0.74 LPAR3 (0.44) LPAR3LPAR1LPAR2

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 OPRM1 3996/4885OPRD1 3211/4885OPRK1 1980/4885

“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.