SCHEMBL680811

SCHEMBL680811

CC(C)C(=O)[C@H](CN1CCC(O)CC1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ HSD11B1 P28845 6/20 0.41
▸ PRCP P42785 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 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
SCHEMBL681360 0.90 TP53 (0.46) SLC18A3HSP90AA1NTSR1PRCPALDH1A1
SCHEMBL680966 0.87 NTSR1 (0.43) NTSR1HSD11B1PRCPNPSR1TSHR
SCHEMBL679620 0.87 NTSR1 (0.43) NTSR1HSD11B1PRCPNPSR1TSHR
SCHEMBL680771 0.87 NTSR1 (0.43) NTSR1HSD11B1PRCPNPSR1TSHR
SCHEMBL12188415 0.86 SLC18A3 (0.44) SLC18A3HSP90AA1NTSR1HSD11B1PRCP
SCHEMBL2738529 0.84 SLC18A3 (0.44) SLC18A3HSP90AA1NTSR1HSD11B1PRCP
SCHEMBL680805 0.83 HSD11B1 (0.37) HSD11B1ALDH1A1KDM4EKCNA3
SCHEMBL680797 0.83 IGF1R (0.44) HSP90AA1NTSR1ALDH1A1KDM4EALOX12
SCHEMBL12168570 0.81 TACR2 (0.48) ALDH1A1KDM4ECYP2D6
SCHEMBL12193971 0.81 TACR2 (0.48) ALDH1A1KDM4ECYP2D6

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 9 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-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 SLC18A3 4760/4885HSP90AA1 1215/4885NTSR1 4622/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC18A3 4720/4885HSP90AA1 1257/4885NTSR1 4515/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC18A3 4720/4885HSP90AA1 1257/4885NTSR1 4515/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC18A3 4720/4885HSP90AA1 1257/4885NTSR1 4515/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC18A3 4720/4885HSP90AA1 1257/4885NTSR1 4515/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC18A3 4720/4885HSP90AA1 1257/4885NTSR1 4515/4885

“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.

Send feedback