SCHEMBL683317

SCHEMBL683317

CC(=O)[C@H](CNC1CCOCC1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.43
MAPK1 P28482 1/20 0.40
KCNK3 O14649 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CCR2 P41597 2/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
IDH1 O75874 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL681031 0.89 PDE2A (0.42) PDE2AMAPK1KCNK3ALDH1A1CCR2
SCHEMBL8225303 0.89 PDE2A (0.43) PDE2AMAPK1KCNK3CNR1CNR2
SCHEMBL681781 0.87 PDE2A (0.42) PDE2AMAPK1KCNK3CNR1CNR2
SCHEMBL16151910 0.85 AKT1 (0.36) MAPK1CNR1CNR2AKT1AKT2
SCHEMBL683314 0.84 OPRL1 (0.46) CNR1CNR2CCR2AKT1AKT2
SCHEMBL16151916 0.84 ALDH1A1 (0.37) CNR1CNR2ALDH1A1AKT1AKT2
SCHEMBL12188424 0.83 TRPV1 (0.41) CCR2AKT1AKT2AKT3TRPV1
SCHEMBL16151880 0.80 PDE2A (0.47) PDE2ACCR2AKT1AKT2AKT3
SCHEMBL14295874 0.78 MAPK1 (0.41) PDE2AMAPK1KCNK3AKT1AKT2
SCHEMBL12188384 0.77 PDE2A (0.51) PDE2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (5 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PDE2A 1995/4885MAPK1 92/4885KCNK3 4031/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885MAPK1 82/4885KCNK3 3992/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885MAPK1 82/4885KCNK3 3992/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885MAPK1 82/4885KCNK3 3992/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885MAPK1 82/4885KCNK3 3992/4885

“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.