SCHEMBL681496

SCHEMBL681496

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.44
SLC6A4 P31645 12/20 0.44
SLC6A3 Q01959 11/20 0.44
KCNH2 Q12809 2/20 0.43
SSTR4 P31391 1/20 0.42
CYP2D6 P10635 1/20 0.38

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
SCHEMBL680850 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2SSTR4
SCHEMBL684461 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1714229 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12028972 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1714230 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL4162000 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL2738666 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL4161995 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL191245 0.81 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL684446 0.81 SLC6A2 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 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-20200345735-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.