SCHEMBL20282847

SCHEMBL20282847

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ AKT3 Q9Y243 1/20 0.39
▸ CCR5 P51681 4/20 0.38
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22622536 1.00 AKT1 (0.39) AKT1AKT2AKT3CCR5DPP4
SCHEMBL681463 1.00 AKT1 (0.39) AKT1AKT2AKT3CCR5DPP4
SCHEMBL16151917 0.89 AKT1 (0.40) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL8217390 0.89 AKT1 (0.40) AKT1AKT2AKT3CCR5DPP4
SCHEMBL683587 0.89 AKT1 (0.40) AKT1AKT2AKT3CCR5NTSR1
SCHEMBL679629 0.85 DPP4 (0.44) AKT1AKT2AKT3CCR5DPP4
SCHEMBL681403 0.85 DPP4 (0.44) AKT1AKT2AKT3CCR5DPP4
SCHEMBL679660 0.84 CCR5 (0.45) CCR5
SCHEMBL680138 0.84 CCR5 (0.45) CCR5
SCHEMBL681173 0.83 AKT1 (0.48) AKT1AKT2AKT3DPP4DPP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 — — 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 (1 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-20180169099-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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