SCHEMBL680781

SCHEMBL680781

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.47
CACNA1H O95180 1/20 0.44
EPHX2 P34913 2/20 0.44
GPR139 Q6DWJ6 2/20 0.41

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
SCHEMBL681229 0.91 CACNA1H (0.38) PDE2ACACNA1HEPHX2
SCHEMBL12188417 0.89 PDE2A (0.48) PDE2ACACNA1HEPHX2GPR139
SCHEMBL8223257 0.88 PDE2A (0.50) PDE2ACACNA1HEPHX2GPR139
SCHEMBL681325 0.88 PDE2A (0.47) PDE2ACACNA1HEPHX2GPR139
SCHEMBL680988 0.86 SLC22A3 (0.44) CACNA1H
SCHEMBL681430 0.85 MAPK1 (0.42) CACNA1HEPHX2
SCHEMBL681015 0.83 EPHX2 (0.48) PDE2AEPHX2
SCHEMBL680927 0.82 PDPK1 (0.44) CACNA1H
SCHEMBL680749 0.81 PDE2A (0.41) PDE2A
SCHEMBL679630 0.81 ALDH1A1 (0.46) PDE2AEPHX2

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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 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 PDE2A 1813/4885CACNA1H 4866/4885EPHX2 2203/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885CACNA1H 4866/4885EPHX2 2203/4885

“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.