SCHEMBL684166

SCHEMBL684166

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ACACB O00763 1/20 0.41
AVPR1A P37288 3/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
NPY5R Q15761 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CA2 P00918 1/20 0.36
MAOB P27338 1/20 0.36
NOS2 P35228 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PYGL P06737 2/20 0.36

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
SCHEMBL20282831 0.86 ALDH1A1 (0.39) ALDH1A1HTTRAB9AACACBAVPR1A
SCHEMBL680893 0.86 ACACB (0.39) ALDH1A1HTTRAB9AACACBAVPR1A
SCHEMBL684450 0.79 ACACB (0.46) ALDH1A1HTTACACBKMT2ASLC6A2
SCHEMBL17804037 0.79 ALDH1A1 (0.40) ALDH1A1HTTRAB9AACACBTSHR
SCHEMBL13323474 0.77 ACACB (0.48) ACACBKMT2ASLC6A2SLC6A3CA2
SCHEMBL12188588 0.77 ACACB (0.48) ACACBKMT2ASLC6A2SLC6A3CA2
SCHEMBL14950914 0.77 ACACB (0.48) ACACBKMT2ASLC6A2SLC6A3CA2
SCHEMBL12188587 0.76 ACACB (0.43) ALDH1A1HTTRAB9AACACBAVPR1A
SCHEMBL5746278 0.75 ACACB (0.57) ALDH1A1HTTACACBSLC6A2SLC6A3
SCHEMBL684225 0.74 ACACB (0.41) ALDH1A1RAB9AACACBAVPR1AKMT2A

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 6 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-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 (4 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

“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.