SCHEMBL6526247

SCHEMBL6526247

O=C(O)NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CYP2D6 P10635 4/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 2/20 0.38
DRD4 P21917 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPFFR1 Q9GZQ6 2/20 0.37
NPFFR2 Q9Y5X5 2/20 0.37
PRNP P04156 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 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
SCHEMBL3665994 0.94 DRD4 (0.41) HDAC1HDAC6CYP2D6CYP3A4TSHR
SCHEMBL3722865 0.82 OPRL1 (0.48) CYP2D6CYP3A4TSHRL3MBTL1SIGMAR1
Trifluoroacetic Acid SCHEMBL3721770 0.81 PRNP (0.46) CYP2D6CYP3A4TSHRPRNPCHRM2
SCHEMBL3723903 0.79 CYP2D6 (0.37) HDAC1HDAC6CYP2D6CYP3A4TSHR
SCHEMBL29444528 0.79 TSHR (0.45) CYP2D6CYP3A4TSHRDRD4L3MBTL1
SCHEMBL3664887 0.78 MEN1 (0.45) CYP2D6CYP3A4TSHRDRD4L3MBTL1
SCHEMBL6526248 0.78 CYP2D6 (0.41) CYP2D6CYP3A4TSHRL3MBTL1PRNP
SCHEMBL3668622 0.75 OPRL1 (0.53) CYP2D6CYP3A4TSHRL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL3667689 0.75 POLB (0.44) CYP2D6CYP3A4TSHRL3MBTL1SIGMAR1
SCHEMBL3667492 0.72 CYP2D6 (0.44) CYP2D6CYP3A4TSHRL3MBTL1SIGMAR1

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-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

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 HDAC1 1919/4885HDAC6 1578/4885CYP2D6 1028/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 HDAC1 2110/4885HDAC6 1616/4885CYP2D6 998/4885

“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.