SCHEMBL681503

SCHEMBL681503

CC(C)C(=O)[C@@H](Cc1ccc(Cl)cc1)NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HTR1A P08908 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KCNH2 Q12809 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
CNR1 P21554 1/20 0.50
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TACR2 P21452 2/20 0.47
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL681327 0.88 GAA (0.51) ALDH1A1SMN1; SMN2CNR1NPSR1TACR2
SCHEMBL14295176 0.88 ALDH1A1 (0.54) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL10266645 0.86 ALDH1A1 (0.54) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL681504 0.80 GPR142 (0.42) ALDH1A1MAOAMAOBL3MBTL1TACR2
SCHEMBL847408 0.78 TACR2 (0.58) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL681837 0.78 ACACB (0.42) ALDH1A1KMT2AHPGDEPHX2POLB
SCHEMBL684436 0.77 POLB (0.46) ALDH1A1CD274KMT2AHPGDTACR2
SCHEMBL681505 0.77 CNR2 (0.40) KCNH2SMN1; SMN2CNR1KMT2AMEN1
SCHEMBL7035814 0.75 ALDH1A1 (0.62) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL7287015 0.74 TACR2 (0.54) ALDH1A1CD274KMT2AMEN1HPGD

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-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-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 ALDH1A1 2098/4885HTR1A 2173/4885MAOA 3755/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTR1A 1806/4885MAOA 3650/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTR1A 1806/4885MAOA 3650/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTR1A 1806/4885MAOA 3650/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTR1A 1806/4885MAOA 3650/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTR1A 1806/4885MAOA 3650/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HTR1A 1806/4885MAOA 3650/4885

“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.