SCHEMBL681504

SCHEMBL681504

CC(C)C(=O)[C@@H](Cc1ccc(Cl)cc1)NCCC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.39
P2RX3 P56373 1/20 0.39
ACACB O00763 2/20 0.38
CCR2 P41597 1/20 0.38
AVPR1A P37288 1/20 0.36
TACR2 P21452 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 1/20 0.35
RORC P51449 1/20 0.35
MC4R P32245 3/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12188589 0.88 GPR142 (0.43) GPR142KDM1AMAOAMAOBEPHX2
SCHEMBL681663 0.88 BCHE (0.50) KDM1AMAOAMAOBBCHEAVPR1A
SCHEMBL681505 0.88 CNR2 (0.40) P2RX3ACACBCCR2AVPR1ATACR2
SCHEMBL680881 0.81 AVPR1A (0.41) ACACBCCR2AVPR1AALDH1A1L3MBTL1
SCHEMBL681503 0.80 ALDH1A1 (0.52) MAOAMAOBEPHX2TACR2ALDH1A1
SCHEMBL681837 0.78 ACACB (0.42) EPHX2ACACBALDH1A1
SCHEMBL684440 0.77 GPR142 (0.43) GPR142KDM1AMAOAMAOBBCHE
SCHEMBL22622560 0.77 AVPR1A (0.33) AVPR1A
SCHEMBL684454 0.76 ACACB (0.40) ACACBCCR2AVPR1ATACR2CYP1A2
SCHEMBL681060 0.76 HTRA1 (0.46) ACACBCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 GPR142 3374/4885KDM1A 1959/4885MAOA 3755/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR142 3458/4885KDM1A 1767/4885MAOA 3650/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR142 3458/4885KDM1A 1767/4885MAOA 3650/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR142 3458/4885KDM1A 1767/4885MAOA 3650/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR142 3458/4885KDM1A 1767/4885MAOA 3650/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR142 3458/4885KDM1A 1767/4885MAOA 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.