SCHEMBL3728233

SCHEMBL3728233

CC(C)(C)OC(=O)N1CCCC2(C1)C(=O)Nc1ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.40
PLK1 P53350 1/20 0.39
NR1H2 P55055 3/20 0.39
RXRA P19793 2/20 0.39
NR1H3 Q13133 2/20 0.39
RORC P51449 3/20 0.38
HDAC1 Q13547 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
BRD3 Q15059 1/20 0.37
MAPT P10636 2/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL23648688 0.89 CYP1A2 (0.41) HDAC2PLK1NR1H2RXRANR1H3
SCHEMBL4975823 0.87 IP6K1 (0.45) HDAC2PLK1NR1H2RXRANR1H3
SCHEMBL4975818 0.87 IP6K1 (0.45) HDAC2PLK1NR1H2RXRANR1H3
SCHEMBL3735167 0.85 NR1H2 (0.48) NR1H2RXRANR1H3HTR1AHTR2A
SCHEMBL6875654 0.83 HTR1A (0.43) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL3725089 0.81 IP6K1 (0.51) NR1H2RXRANR1H3HTR1AHTR2A
SCHEMBL17584776 0.81 ADRA2B (0.44) NR1H2RXRANR1H3RORCUSP30
SCHEMBL21172946 0.81 IP6K1 (0.41) HDAC2NR1H2RXRANR1H3HDAC1
SCHEMBL30425258 0.81 IP6K1 (0.41) HDAC2NR1H2RXRANR1H3HDAC1
SCHEMBL6748116 0.80 HDAC2 (0.40) HDAC2RORCHDAC1USP30

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 9 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
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP 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
EP-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed
US-6774132-B1 Spirooxindole derivatives that act as analgesics ASTRAZENECA AB (SE) 2004-08-10 US disclosed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA HDAC2 2758/4885PLK1 34/4885NR1H2 1663/4885
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. OPRK1, OPRD1, OPRL1 HDAC2 1615/4885PLK1 4065/4885NR1H2 163/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 HDAC2 2927/4885PLK1 46/4885NR1H2 1859/4885

“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.