SCHEMBL3722398

SCHEMBL3722398

CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc2c1C1(CCN(Cc3ccccc3)CC1)CN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KLK7 P49862 1/20 0.38
NR1H2 P55055 4/20 0.38
RXRA P19793 3/20 0.38
NR1H3 Q13133 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACKR3 P25106 1/20 0.37
OPRD1 P41143 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
SCHEMBL3722396 1.00 MAPT (0.39) MAPTNPSR1NPFFR1NPFFR2TSHR
SCHEMBL3667388 0.84 NR1H2 (0.43) MAPTNPSR1NPFFR1NPFFR2TSHR
SCHEMBL3667387 0.84 NR1H2 (0.43) MAPTNPSR1NPFFR1NPFFR2TSHR
SCHEMBL29444526 0.76 MEN1 (0.44) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20170496 0.72 HSP90AA1 (0.56) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL3663041 0.70 UCHL1 (0.44) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL14494012 0.70 MAPT (0.48) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL14494009 0.70 MAPT (0.48) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL6526185 0.70 UCHL1 (0.44) MAPTNPSR1TSHRALDH1A1LMNA
SCHEMBL6071600 0.70 TSHR (0.55) MAPTNPSR1TSHRALDH1A1LMNA

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 MAPT 690/4885NPSR1 4393/4885NPFFR1 3924/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 MAPT 593/4885NPSR1 4284/4885NPFFR1 3925/4885

“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.