SCHEMBL683587

SCHEMBL683587

CC(=O)C(CN1CCC(N(C)C)C(F)C1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ AKT3 Q9Y243 1/20 0.40
▸ CCR5 P51681 3/20 0.39
▸ NTSR1 P30989 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35

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
SCHEMBL16151917 1.00 AKT1 (0.40) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL8217390 0.91 AKT1 (0.40) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL16151896 0.90 OPRM1 (0.36) CCR5OPRM1KCNH2GPR119
SCHEMBL681463 0.89 AKT1 (0.39) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL20282847 0.89 AKT1 (0.39) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL22622536 0.89 AKT1 (0.39) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL12188338 0.85 AKT1 (0.44) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL684113 0.85 AKT1 (0.44) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL12188488 0.84 CCR5 (0.47) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL12188575 0.84 CCR5 (0.47) AKT1AKT2AKT3CCR5NTSR1

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-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-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 AKT1 1/4885AKT2 2/4885AKT3 4/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885

“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.

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