SCHEMBL1907804

SCHEMBL1907804

Cn1ccc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
TACR3 P29371 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
PTGS2 P35354 2/20 0.32
SCN9A Q15858 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
AKT1 P31749 2/20 0.32
LIPE Q05469 1/20 0.32
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 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
SCHEMBL1901653 0.86 CYP3A4 (0.33) PDE2ACYP3A4CYP2C8TACR3MEN1
SCHEMBL12095316 0.85 TACR3 (0.35) PDE2ACYP3A4CYP2C8TACR3ITGB1
SCHEMBL14118794 0.83 ALDH1A1 (0.41) ALDH1A1JAK2EGFRLCKSRC
SCHEMBL1903907 0.83 PDE2A (0.36) PDE2ACYP3A4CYP2C8TACR3MEN1
SCHEMBL1903507 0.83 AKT1 (0.33) PDE2ATACR3PTGS2SCN9AMMP1
SCHEMBL1902580 0.82 AKT1 (0.47) AKT1
SCHEMBL1904773 0.81 AKT1 (0.36) PDE2ATACR3PTGS2AKT1EGFR
SCHEMBL1908184 0.81 ALDH1A1 (0.34) PDE2ATACR3ITGB1ITGA4ITGB7
SCHEMBL1905277 0.81 BRD4 (0.38) PDE2ACYP3A4CYP2C8TACR3AKT1
SCHEMBL1907528 0.80 BACE1 (0.34) PDE2ACYP3A4CYP2C8TACR3AKT1

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 PDE2A 2363/4885CYP3A4 4594/4885CYP2C8 4472/4885

“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.