SCHEMBL12367173

SCHEMBL12367173

CC(C)(C)C(=O)C(CC1(N)CC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
AKT1 P31749 1/20 0.35
SLC6A3 Q01959 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
APP P05067 1/20 0.33
SLC6A4 P31645 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL684438 0.87 FFAR1 (0.38) FFAR1AKT1SLC6A3S1PR1S1PR3
SCHEMBL681329 0.84 APP (0.36) FFAR1AKT1SLC6A3PSEN1PSEN2
SCHEMBL681214 0.81 SLC6A3 (0.34) FFAR1AKT1SLC6A3PSEN1PSEN2
SCHEMBL684442 0.70 AKR1C3 (0.38) FFAR1AKT1S1PR1S1PR3PSEN1
SCHEMBL683662 0.70 AKR1C3 (0.38) FFAR1AKT1S1PR1S1PR3PSEN1
SCHEMBL12193936 0.69 ALDH1A1 (0.43) AKT1AKR1C3AKR1C2
SCHEMBL12188391 0.69 FFAR1 (0.41) FFAR1AKT1S1PR1S1PR3PSEN1
SCHEMBL681170 0.69 ALDH1A1 (0.43) AKT1AKR1C3AKR1C2
SCHEMBL681046 0.68 APP (0.38) FFAR1AKT1PSEN1PSEN2APH1B
SCHEMBL14304004 0.68 FFAR1 (0.37) FFAR1AKT1SLC6A3S1PR1S1PR3

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-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 FFAR1 1458/4885AKT1 33/4885SLC6A3 2482/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 FFAR1 1410/4885AKT1 3/4885SLC6A3 2159/4885

“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.