SCHEMBL681802

SCHEMBL681802

C=C(C(C)C)[C@@H](CC(C)(C)N)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
POLB P06746 2/20 0.39
ADRB2 P07550 1/20 0.39
AOC3 Q16853 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 3/20 0.36

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
SCHEMBL681388 1.00 SLC6A2 (0.40) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL681220 1.00 SLC6A2 (0.40) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL680823 0.84 POLB (0.42) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL679766 0.84 POLB (0.42) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL680865 0.84 POLB (0.42) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL681391 0.84 AOC3 (0.38) AOC3
SCHEMBL12323381 0.84 SLC6A2 (0.42) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10122759 0.81 SLC6A2 (0.42) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL684422 0.81 BRD4 (0.47) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL684738 0.81 BRD4 (0.47) SLC6A2HTR2ASLC6A4HRH1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 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 (1 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 SLC6A2 2079/4885HTR2A 2758/4885SLC6A4 1998/4885

“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.