SCHEMBL12847765

SCHEMBL12847765

CCN1C[C@@]2(CCCNC2)c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.37
AKT1 P31749 3/20 0.35
AKR1B1 P15121 1/20 0.35
CTSS P25774 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NAMPT P43490 2/20 0.32
PARK7 Q99497 1/20 0.30

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
SCHEMBL12847353 1.00 GRIA2 (0.37) GRIA2AKT1AKR1B1CTSSSLC6A2
SCHEMBL17771740 0.84 AKT1 (0.38) AKT1AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL17771698 0.84 AKT1 (0.38) AKT1AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL12847354 0.84 AKT1 (0.47) GRIA2AKT1AKR1B1CTSSHTR2C
SCHEMBL12790809 0.80 AKT1 (0.35) AKT1AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL12790862 0.80 AKT1 (0.35) AKT1AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL12847314 0.79 GRIA2 (0.38) GRIA2AKR1B1CTSSSLC6A4OPRM1
SCHEMBL12847767 0.77 NOTUM (0.42) AKT1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL12847643 0.77 NOTUM (0.42) AKT1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL14791771 0.74 OPRM1 (0.35) GRIA2CTSSOPRM1OPRK1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US 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 GRIA2 3670/4885AKT1 1/4885AKR1B1 629/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 GRIA2 3622/4885AKT1 2/4885AKR1B1 574/4885

“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.