SCHEMBL16151909

SCHEMBL16151909

CC(=O)[C@@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 3/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ AKT3 Q9Y243 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ MDM4 O15151 2/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL12188578 1.00 CCR5 (0.43) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL12188575 0.93 CCR5 (0.47) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL12188488 0.93 CCR5 (0.47) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL2738755 0.89 CCR5 (0.43) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL2738622 0.89 CCR5 (0.43) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL16151962 0.88 L3MBTL3 (0.41) CCR5L3MBTL3SIGMAR1
SCHEMBL16151955 0.88 L3MBTL3 (0.41) CCR5L3MBTL3SIGMAR1
SCHEMBL680995 0.88 CCR5 (0.42) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL680994 0.88 CCR5 (0.42) CCR5NTSR1AKT1AKT2AKT3
SCHEMBL12188331 0.85 AKT1 (0.50) NTSR1AKT1AKT2AKT3SIGMAR1

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 — — US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — 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 (3 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CCR5 1314/4885NTSR1 4622/4885AKT1 1/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CCR5 1344/4885NTSR1 4515/4885AKT1 1/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CCR5 1344/4885NTSR1 4515/4885AKT1 1/4885

“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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