SCHEMBL680886

SCHEMBL680886

CC(=O)N1CCC(N[C@H](Cc2ccc(Cl)cc2)C(=O)C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
AVPR1A P37288 5/20 0.44
CCR1 P32246 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PSMB11 A5LHX3 2/20 0.42
PSMA7 O14818 2/20 0.42
PSMB1 P20618 2/20 0.42
PSMA1 P25786 2/20 0.42
PSMA2 P25787 2/20 0.42
PSMA3 P25788 2/20 0.42
PSMA4 P25789 2/20 0.42
PSMB8 P28062 2/20 0.42
PSMB9 P28065 2/20 0.42
PSMA5 P28066 2/20 0.42
PSMB4 P28070 2/20 0.42
PSMB6 P28072 2/20 0.42
PSMB5 P28074 2/20 0.42

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
SCHEMBL684447 0.89 CYP2C9 (0.46) CYP2C9AVPR1ATRPV1ALDH1A1CRHBP
SCHEMBL2738494 0.87 CYP2C9 (0.47) CYP2C9AVPR1ATRPV1ALDH1A1KDM4E
SCHEMBL680254 0.85 POLB (0.51) CYP2C9AVPR1AALDH1A1RAB9ACYP2C19
SCHEMBL20278026 0.84 AVPR1A (0.42) AVPR1ATRPV1RAB9A
SCHEMBL679804 0.84 AVPR1A (0.41) AVPR1A
SCHEMBL680881 0.83 AVPR1A (0.41) AVPR1ATRPV1ALDH1A1
SCHEMBL681206 0.75 OPRL1 (0.44) CCR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5452875 0.75 MC4R (0.41) AVPR1ATRPV1ALDH1A1KDM4E
SCHEMBL12537186 0.74 ACACB (0.57)
SCHEMBL683680 0.74 LMNA (0.42) AVPR1A

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-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-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
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 (6 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 CYP2C9 1278/4885AVPR1A 3770/4885CCR1 2561/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885CCR1 2324/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885CCR1 2324/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885CCR1 2324/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885CCR1 2324/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CYP2C9 1373/4885AVPR1A 3485/4885CCR1 2324/4885

“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.