SCHEMBL681320

SCHEMBL681320

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.54
IDO1 P14902 2/20 0.39
SLC6A4 P31645 1/20 0.39
GPR139 Q6DWJ6 2/20 0.39
GAA P10253 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
PNMT P11086 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
SCHEMBL681790 0.86 PDE2A (0.54) PDE2AIDO1SLC6A4GPR139PNMT
SCHEMBL12188449 0.86 PDE2A (0.54) PDE2AIDO1GPR139GAAFFAR1
SCHEMBL2738655 0.84 PDE2A (0.51) PDE2AIDO1GPR139GAAFFAR1
SCHEMBL681232 0.83 PDE2A (0.50) PDE2ASLC6A4GPR139TRPV1
SCHEMBL679737 0.82 PDE2A (0.49) PDE2ASLC6A4GAA
SCHEMBL12168590 0.81 LOXL2 (0.37) GPR139
SCHEMBL680814 0.80 MDM2 (0.39) KCNH2
SCHEMBL681465 0.80 APLNR (0.44)
SCHEMBL680812 0.78 PDE2A (0.45) PDE2ASLC6A4
SCHEMBL18636315 0.77 PDE2A (0.60) PDE2AIDO1PNMT

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-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-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
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 1813/4885IDO1 1308/4885SLC6A4 2692/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PDE2A 1813/4885IDO1 1308/4885SLC6A4 2692/4885

“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.