SCHEMBL684688

SCHEMBL684688

CC(=O)[C@H](CN1CCN(CCO)CC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NTSR1 P30989 1/20 0.45
BRD4 O60885 1/20 0.44
MC4R P32245 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A2 P23975 1/20 0.41
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL684992 1.00 ALDH1A1 (0.48) ALDH1A1POLBHPGDHSD17B10NTSR1
SCHEMBL12188339 0.89 MEN1 (0.54) ALDH1A1POLBNTSR1BRD4MC4R
SCHEMBL12188472 0.89 MEN1 (0.54) ALDH1A1POLBNTSR1BRD4MC4R
SCHEMBL680943 0.86 ALDH1A1 (0.49) ALDH1A1POLBHPGDHSD17B10NTSR1
SCHEMBL680736 0.86 ALDH1A1 (0.49) ALDH1A1POLBHPGDHSD17B10NTSR1
SCHEMBL2738743 0.86 ALDH1A1 (0.47) ALDH1A1POLBHPGDHSD17B10NTSR1
SCHEMBL2738606 0.86 ALDH1A1 (0.47) ALDH1A1POLBHPGDHSD17B10NTSR1
SCHEMBL14288313 0.86 ALDH1A1 (0.48) ALDH1A1POLBHPGDNTSR1BRD4
SCHEMBL12219561 0.86 ALDH1A1 (0.48) ALDH1A1POLBHPGDNTSR1BRD4
SCHEMBL14295079 0.86 ALDH1A1 (0.48) ALDH1A1POLBHPGDNTSR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
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 (6 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 ALDH1A1 2098/4885POLB 672/4885HPGD 1208/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885POLB 613/4885HPGD 1065/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885POLB 613/4885HPGD 1065/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885POLB 613/4885HPGD 1065/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885POLB 613/4885HPGD 1065/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885POLB 613/4885HPGD 1065/4885

“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.