SCHEMBL681009

SCHEMBL681009

CC(C)C(=O)[C@@H](CN1CCN(C)CC1)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.43
▸ SLC6A2 P23975 8/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ MAPT P10636 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MC4R P32245 1/20 0.39

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
SCHEMBL680796 1.00 PDE2A (0.43) PDE2ASLC6A2SLC6A4EPHX2MAPT
SCHEMBL681018 0.92 PDE2A (0.43) PDE2AEPHX2CACNA1HALDH1A1
SCHEMBL679692 0.92 PDE2A (0.43) PDE2AEPHX2CACNA1HALDH1A1
SCHEMBL681600 0.90 PDE2A (0.44) PDE2AEPHX2CACNA1H
SCHEMBL681243 0.90 PDE2A (0.44) PDE2AEPHX2CACNA1H
SCHEMBL681021 0.90 EPHX2 (0.43) PDE2AEPHX2CACNA1H
SCHEMBL680801 0.90 EPHX2 (0.43) PDE2AEPHX2CACNA1H
SCHEMBL16151899 0.89 PDE2A (0.44) PDE2ASLC6A2SLC6A4EPHX2MAPT
SCHEMBL684914 0.89 PDE2A (0.44) PDE2ASLC6A2SLC6A4EPHX2MAPT
SCHEMBL681272 0.88 LMNA (0.49) PDE2AEPHX2MAPTCACNA1HALDH1A1

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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 — — 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-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 (3 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A2 3153/4885SLC6A4 2692/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A2 3153/4885SLC6A4 2692/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885SLC6A2 3153/4885SLC6A4 2692/4885

“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.

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