SCHEMBL684451

SCHEMBL684451

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
ACACB O00763 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
SLC6A4 P31645 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 1/20 0.39

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
SCHEMBL13323473 1.00 ALDH1A1 (0.45) ALDH1A1HTTRAB9AADAMTS5ACACB
SCHEMBL16151904 0.85 ADAMTS5 (0.45) ALDH1A1HTTRAB9AADAMTS5ACACB
SCHEMBL10256693 0.84 SLC6A2 (0.47) ALDH1A1HTTRAB9AADAMTS5ACACB
SCHEMBL16743936 0.84 ESR1 (0.56) ALDH1A1SLC6A2MAPT
SCHEMBL18747135 0.84 ESR1 (0.56) ALDH1A1SLC6A2MAPT
SCHEMBL15778554 0.84 ALDH1A1 (0.43) ALDH1A1HTTACACBPPARGPPARA
SCHEMBL681501 0.83 SLC6A2 (0.46) ALDH1A1HTTRAB9AADAMTS5ACACB
SCHEMBL13323409 0.83 HTT (0.42) ALDH1A1HTTRAB9AADAMTS5ACACB
SCHEMBL13323476 0.83 HTT (0.42) ALDH1A1HTTRAB9AADAMTS5ACACB
SCHEMBL3773871 0.83 SLC6A2 (0.52) ALDH1A1HTTRAB9AACACBSLC6A2

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 12 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-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7709484-B1 Substituted melanocortin receptor-specific piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-05-04 US disclosed
US-7709484-B1 Substituted melanocortin receptor-specific piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-05-04 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 ALDH1A1 2098/4885HTT 2087/4885RAB9A 1697/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTT 2076/4885RAB9A 1810/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTT 2076/4885RAB9A 1810/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTT 2076/4885RAB9A 1810/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTT 2076/4885RAB9A 1810/4885

“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.