SCHEMBL681193

SCHEMBL681193

CC(C)C(=O)C(CN1CC[C@@H](C)C1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 5/20 0.40

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
SCHEMBL681154 0.92 SIGMAR1 (0.55) SIGMAR1KDM4EGAAL3MBTL1HRH3
SCHEMBL681321 0.92 SIGMAR1 (0.55) SIGMAR1KDM4EGAAL3MBTL1HRH3
SCHEMBL680108 0.92 SIGMAR1 (0.55) SIGMAR1KDM4EGAAL3MBTL1HRH3
SCHEMBL681201 0.90 SMN1; SMN2 (0.40) SIGMAR1HSD17B10KDM4EL3MBTL1
SCHEMBL680112 0.90 SMN1; SMN2 (0.40) SIGMAR1HSD17B10KDM4EL3MBTL1
SCHEMBL681188 0.90 SMN1; SMN2 (0.40) SIGMAR1HSD17B10KDM4EL3MBTL1
SCHEMBL14310835 0.88 OPRK1 (0.44)
SCHEMBL680786 0.88 OPRK1 (0.44)
SCHEMBL14303930 0.88 OPRK1 (0.44)
SCHEMBL681403 0.88 DPP4 (0.44) SIGMAR1

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 5 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
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 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 2917/4885HSD17B10 880/4885KDM4E 1647/4885

“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.