SCHEMBL3667387

SCHEMBL3667387

CC(C)(C)OC(=O)N1CCCC1c1cccc2c1C1(CCN(Cc3ccccc3)CC1)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.43
RXRA P19793 5/20 0.43
NR1H3 Q13133 5/20 0.43
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRK1 P41145 2/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
OPRD1 P41143 1/20 0.39
KLK7 P49862 1/20 0.38
P4HB P07237 1/20 0.38
CALCA P06881 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 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
SCHEMBL3667388 1.00 NR1H2 (0.43) NR1H2RXRANR1H3TSHRLMNA
SCHEMBL3722398 0.84 MAPT (0.39) NR1H2RXRANR1H3TSHRLMNA
SCHEMBL3722396 0.84 MAPT (0.39) NR1H2RXRANR1H3TSHRLMNA
SCHEMBL19235363 0.77 OPRM1 (0.46) TSHRALDH1A1OPRK1OPRD1MEN1
SCHEMBL6526185 0.72 UCHL1 (0.44) NR1H2RXRANR1H3TSHRLMNA
SCHEMBL3663041 0.72 UCHL1 (0.44) NR1H2RXRANR1H3TSHRLMNA
SCHEMBL31444419 0.72 TSHR (0.55) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL6071600 0.72 TSHR (0.55) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL19235264 0.72 ADRA1B (0.47) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL29444508 0.72 MEN1 (0.50) TSHRLMNAALDH1A1MEN1KMT2A

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NR1H2 1663/4885RXRA 4120/4885NR1H3 1678/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 NR1H2 1859/4885RXRA 4222/4885NR1H3 1892/4885

“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.