SCHEMBL683470

SCHEMBL683470

CC(=O)[C@@H](CN1CC[C@@H](N)C1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
NTSR1 P30989 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR5 P51681 1/20 0.39
CACNA1B Q00975 2/20 0.38
BRD4 O60885 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SLC6A9 P48067 1/20 0.38
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL684553 1.00 HRH2 (0.41) HRH2HRH1NTSR1AKT1AKT2
SCHEMBL12188574 0.92 NTSR1 (0.44) NTSR1AKT1AKT2AKT3ALDH1A1
SCHEMBL14295173 0.92 NTSR1 (0.44) NTSR1AKT1AKT2AKT3ALDH1A1
SCHEMBL12188344 0.89 BRD4 (0.41) NTSR1ALDH1A1BRD4SLC6A9
SCHEMBL12188345 0.89 BRD4 (0.41) NTSR1ALDH1A1BRD4SLC6A9
SCHEMBL684113 0.88 AKT1 (0.44) NTSR1AKT1AKT2AKT3ALDH1A1
SCHEMBL8220506 0.88 NTSR1 (0.41) NTSR1AKT1AKT2AKT3ALDH1A1
SCHEMBL12188338 0.88 AKT1 (0.44) NTSR1AKT1AKT2AKT3ALDH1A1
SCHEMBL2738790 0.88 NTSR1 (0.41) NTSR1AKT1AKT2AKT3ALDH1A1
SCHEMBL681277 0.88 MC4R (0.39) HRH2HRH1NTSR1AKT1AKT2

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-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
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 EP 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 HRH2 2945/4885HRH1 2218/4885NTSR1 4622/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 HRH2 2853/4885HRH1 2013/4885NTSR1 4515/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 HRH2 2853/4885HRH1 2013/4885NTSR1 4515/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 HRH2 2853/4885HRH1 2013/4885NTSR1 4515/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 HRH2 2853/4885HRH1 2013/4885NTSR1 4515/4885

“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.