SCHEMBL684446

SCHEMBL684446

CCC(=O)[C@H]1CNC[C@@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.46
SLC6A4 P31645 14/20 0.46
SLC6A3 Q01959 7/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL12188593 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1714229 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1714230 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12028972 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL684461 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13012357 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2232983 0.83 MAPT (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2232991 0.83 MAPT (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2738666 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4162000 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2

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
EP-2966065-A2 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-01-13 EP 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 (2 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 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885SLC6A3 2538/4885

“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.