SCHEMBL12790809

SCHEMBL12790809

CC(C)(C)N1CC2(CCCNC2)c2cc(F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.35
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
NAMPT P43490 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
AKR1B1 P15121 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL12790862 1.00 AKT1 (0.35) AKT1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL17771740 0.84 AKT1 (0.38) AKT1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL17771698 0.84 AKT1 (0.38) AKT1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL12790804 0.84 AKT1 (0.47) AKT1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL12847765 0.80 GRIA2 (0.37) AKT1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL12847353 0.80 GRIA2 (0.37) AKT1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL12790855 0.79 CYP2C9 (0.36) AKT1SLC6A4ALDH1A1OPRM1OPRK1
SCHEMBL12790852 0.77 NOTUM (0.42) AKT1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3666216 0.77 NOTUM (0.42) AKT1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL12791831 0.73 KMT2A (0.34) SLC6A3OPRM1OPRK1OPRL1

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-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA AKT1 1/4885SLC6A2 2592/4885SLC6A4 2455/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 AKT1 2/4885SLC6A2 2139/4885SLC6A4 1992/4885

“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.