SCHEMBL681497

SCHEMBL681497

CC(C)C(=O)[C@H](N)Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
DPP4 P27487 3/20 0.45
FAP Q12884 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
TPH1 P17752 2/20 0.45
SLC7A5 Q01650 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
HPGD P15428 1/20 0.42
GRB2 P62993 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL21345026 0.84 TAAR1 (0.66) DPP4SLC7A5TAAR1SLC6A2ALPI
SCHEMBL12680075 0.84 TAAR1 (0.66) DPP4SLC7A5TAAR1SLC6A2ALPI
SCHEMBL17656912 0.84 ACACB (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL12102384 0.84 ACACB (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL19287648 0.84 ACACB (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL14898995 0.84 TAAR1 (0.66) DPP4SLC7A5TAAR1SLC6A2ALPI
SCHEMBL13253992 0.83 SLC7A5 (0.48) TRPA1DPP4FAPDPP8DPP9
SCHEMBL12104029 0.83 SLC7A5 (0.48) TRPA1DPP4FAPDPP8DPP9
SCHEMBL4674111 0.83 SLC7A5 (0.48) TRPA1DPP4FAPDPP8DPP9
SCHEMBL17992601 0.82 KMT2A (0.52) TPH1SLC7A5TAAR1SLC6A2ALPI

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 32 patents — showing the first 20. 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
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
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-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-7795298-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2010-09-14 US disclosed
US-7589118-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-09-15 US disclosed
US-7547724-B2 IAP BIR domain binding compounds AEGERA THERPEUTICS, INC. 2009-06-16 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 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 (12 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 TRPA1 3999/4885DPP4 2119/4885FAP 715/4885
US-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 TRPA1 2839/4885DPP4 3310/4885FAP 940/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 TRPA1 2839/4885DPP4 3310/4885FAP 940/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 TRPA1 4733/4885DPP4 2826/4885FAP 1243/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX TRPA1 1260/4885DPP4 4277/4885FAP 2286/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 TRPA1 4719/4885DPP4 3121/4885FAP 1434/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 TRPA1 4719/4885DPP4 3121/4885FAP 1434/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 TRPA1 2612/4885DPP4 3428/4885FAP 874/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 TRPA1 4719/4885DPP4 3121/4885FAP 1434/4885
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA TRPA1 4489/4885DPP4 2897/4885FAP 1554/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 TRPA1 4719/4885DPP4 3121/4885FAP 1434/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 TRPA1 3700/4885DPP4 2929/4885FAP 713/4885

“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.