SCHEMBL681635

SCHEMBL681635

C=C(C(C)C)C(CC1(N(C)C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
POLB P06746 2/20 0.37
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
AOC3 Q16853 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL681052 0.86 POLB (0.40) SLC6A2SLC6A4POLBCHRM2ADRA2A
SCHEMBL684425 0.84 BRD4 (0.49) SLC6A2SLC6A4POLBCHRM2ADRA2A
SCHEMBL681633 0.81 POLB (0.38) SLC6A2SLC6A4POLBOPRK1SLC6A3
SCHEMBL20282848 0.80 SLC6A2 (0.39) SLC6A2SLC6A4POLBCHRM2ADRA2A
SCHEMBL680133 0.77 LMNA (0.46) SLC6A2SLC6A4POLBKCNH2AOC3
SCHEMBL12194496 0.77 LMNA (0.46) SLC6A2SLC6A4POLBKCNH2AOC3
SCHEMBL12194484 0.75 AOC3 (0.41) SLC6A2SLC6A4POLBAOC3LMNA
SCHEMBL681286 0.75 UTS2R (0.46) SLC6A2SLC6A4CHRM2ADRA2AADRA2B
SCHEMBL681322 0.75 AOC3 (0.41) SLC6A2SLC6A4POLBAOC3LMNA
SCHEMBL12194497 0.74 AOC3 (0.41) SLC6A2SLC6A4POLBAOC3LMNA

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 2079/4885SLC6A4 1998/4885POLB 751/4885

“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.