SCHEMBL680108

SCHEMBL680108

CC1CCN(CC(C(=O)C(C)C)c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.55
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 4/20 0.44
NTSR1 P30989 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 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
SCHEMBL681321 1.00 SIGMAR1 (0.55) SIGMAR1GAAL3MBTL1HRH3NTSR1
SCHEMBL681154 1.00 SIGMAR1 (0.55) SIGMAR1GAAL3MBTL1HRH3NTSR1
SCHEMBL681193 0.92 SIGMAR1 (0.47) SIGMAR1GAAL3MBTL1HRH3KDM4E
SCHEMBL681422 0.90 AKT1 (0.48) SIGMAR1HRH3NTSR1AKT1AKT2
SCHEMBL681173 0.90 AKT1 (0.48) SIGMAR1HRH3NTSR1AKT1AKT2
SCHEMBL680966 0.90 NTSR1 (0.43) SIGMAR1NTSR1AKT1AKT2AKT3
SCHEMBL680964 0.90 AKT1 (0.48) SIGMAR1HRH3NTSR1AKT1AKT2
SCHEMBL680771 0.90 NTSR1 (0.43) SIGMAR1NTSR1AKT1AKT2AKT3
SCHEMBL679620 0.90 NTSR1 (0.43) SIGMAR1NTSR1AKT1AKT2AKT3
SCHEMBL680743 0.88 NTSR1 (0.43) SIGMAR1NTSR1AKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SIGMAR1 2917/4885GAA 2430/4885L3MBTL1 2493/4885

“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.