SCHEMBL684115

SCHEMBL684115

CC(=O)[C@H](CNC1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A3 Q01959 7/20 0.44
AKT1 P31749 3/20 0.39
AKT2 P31751 3/20 0.39
AKT3 Q9Y243 3/20 0.39
SOS1 Q07889 1/20 0.39
BRD4 O60885 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL684494 0.92 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3BRD4
SCHEMBL684480 0.92 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3BRD4
SCHEMBL684829 0.90 BRD4 (0.44) AKT1AKT2AKT3BRD4CYP3A4
SCHEMBL16151923 0.88 MEN1 (0.41) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL680741 0.87 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL12188493 0.86 AKT3 (0.48) AKT1AKT2AKT3
SCHEMBL16151898 0.85 AKT3 (0.41) AKT1AKT2AKT3BRD4CYP3A4
SCHEMBL13011556 0.85 AKT3 (0.41) AKT1AKT2AKT3BRD4CYP3A4
SCHEMBL12188538 0.85 AKT3 (0.41) AKT1AKT2AKT3BRD4CYP3A4
SCHEMBL8225822 0.85 AKT3 (0.41) AKT1AKT2AKT3BRD4CYP3A4

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 13 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-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 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 (8 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 SLC6A2 2330/4885SLC6A4 1990/4885SLC6A3 2482/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 SLC6A2 3273/4885SLC6A4 2789/4885SLC6A3 2542/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 2079/4885SLC6A4 1998/4885SLC6A3 2159/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 2079/4885SLC6A4 1998/4885SLC6A3 2159/4885

“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.