SCHEMBL681501

SCHEMBL681501

CC(C)C(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAOB P27338 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
ACACB O00763 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
NPY5R Q15761 1/20 0.40
SLC6A4 P31645 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 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
SCHEMBL18017164 0.87 ADAMTS5 (0.44) SLC6A2SLC6A3MAOBADAMTS5ALDH1A1
SCHEMBL888841 0.83 ALDH1A1 (0.56) SLC6A2SLC6A3ALDH1A1HTTRAB9A
SCHEMBL16449789 0.83 ALDH1A1 (0.56) SLC6A2SLC6A3ALDH1A1HTTRAB9A
SCHEMBL13323473 0.83 ALDH1A1 (0.45) SLC6A2SLC6A3MAOBADAMTS5ALDH1A1
SCHEMBL684451 0.83 ALDH1A1 (0.45) SLC6A2SLC6A3MAOBADAMTS5ALDH1A1
SCHEMBL10256693 0.81 SLC6A2 (0.47) SLC6A2SLC6A3MAOBADAMTS5ALDH1A1
SCHEMBL681661 0.80 SLC6A2 (0.46) SLC6A2SLC6A3MAOBADAMTS5ALDH1A1
SCHEMBL9875052 0.79 SLC6A2 (0.52) SLC6A2SLC6A3RAB9AACACBPPARG
SCHEMBL19361720 0.77 SLC6A2 (0.50) SLC6A2SLC6A3MAOBHTTRAB9A
SCHEMBL680877 0.76 SLC6A2 (0.63) SLC6A2SLC6A3ACACBSLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
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 (7 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 SLC6A2 3273/4885SLC6A3 2542/4885MAOB 3063/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A3 2538/4885MAOB 3060/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A3 2538/4885MAOB 3060/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A3 2538/4885MAOB 3060/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A3 2538/4885MAOB 3060/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A3 2538/4885MAOB 3060/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A3 2538/4885MAOB 3060/4885

“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.