SCHEMBL681232

SCHEMBL681232

CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.50
GPR139 Q6DWJ6 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
SLC6A4 P31645 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CETP P11597 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12188384 0.88 PDE2A (0.51) PDE2AGPR139ADRB2ADRB1ADRB3
SCHEMBL2738439 0.87 PDE2A (0.50) PDE2AGPR139ADRB2ADRB1ADRB3
SCHEMBL681584 0.87 PDE2A (0.50) PDE2AGPR139ADRB2ADRB1ADRB3
SCHEMBL681320 0.83 PDE2A (0.54) PDE2AGPR139SLC6A4TRPV1
SCHEMBL12168555 0.83 ADRB2 (0.41) GPR139ADRB2ADRB1ADRB3
SCHEMBL680812 0.82 PDE2A (0.45) PDE2ASLC6A4
SCHEMBL679667 0.82 ADRB2 (0.40) ADRB2ADRB1ADRB3LMNA
SCHEMBL681005 0.82 ADRB2 (0.40) ADRB2ADRB1ADRB3LMNA
SCHEMBL679724 0.82 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL681195 0.80 PSEN1 (0.40)

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-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
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 (3 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 1813/4885GPR139 3452/4885ADRB2 3436/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885GPR139 3452/4885ADRB2 3436/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885GPR139 3452/4885ADRB2 3436/4885

“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.