SCHEMBL12104124

SCHEMBL12104124

CCC(=O)C(CN1CCC(O)CC1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ AKT2 P31751 1/20 0.42
▸ AKT3 Q9Y243 1/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ USP14 P54578 1/20 0.39
▸ 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
SCHEMBL684665 0.92 OPRK1 (0.44) ALDH1A1
SCHEMBL684411 0.92 OPRK1 (0.44) ALDH1A1
SCHEMBL12323915 0.87 ACACB (0.39) ALDH1A1
SCHEMBL12219559 0.86 NTSR1 (0.40) NTSR1AKT1AKT2AKT3HSD11B1
SCHEMBL12188573 0.86 NTSR1 (0.45) NTSR1AKT1AKT2AKT3HSD11B1
SCHEMBL12188328 0.86 NTSR1 (0.45) NTSR1AKT1AKT2AKT3HSD11B1
SCHEMBL12188576 0.86 NTSR1 (0.45) NTSR1AKT1AKT2AKT3HSD11B1
SCHEMBL12219419 0.85 AKT1 (0.43) NTSR1AKT1AKT2AKT3DPP7
SCHEMBL680771 0.84 NTSR1 (0.43) NTSR1AKT1AKT2AKT3HSD11B1
SCHEMBL679620 0.84 NTSR1 (0.43) NTSR1AKT1AKT2AKT3HSD11B1

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-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 — — US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 — — US disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 — — EP disclosed
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 — — US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 — — 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 (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-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK NTSR1 4424/4885AKT1 6/4885AKT2 8/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA NTSR1 4396/4885AKT1 7/4885AKT2 6/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 NTSR1 3728/4885AKT1 3/4885AKT2 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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