SCHEMBL681284

SCHEMBL681284

C=C(C(C)(C)C)C1(c2ccc(Cl)cc2)CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
HDAC4 P56524 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
HSD11B1 P28845 6/20 0.34
AKT1 P31749 2/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
TET3 O43151 1/20 0.33
KMT2A Q03164 1/20 0.33
FBXL19 Q6PCT2 1/20 0.33

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
SCHEMBL680932 0.82 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL12102372 0.79 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL12219063 0.77 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL681051 0.76 DRD2 (0.51) DRD2HDAC4HSD11B1AKT1
SCHEMBL20282970 0.75 DRD2 (0.41) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL680207 0.75 OPRM1 (0.52) HSD11B1TET3KMT2AFBXL19CXXC5
SCHEMBL13012452 0.74 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL17424825 0.74 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL681492 0.73 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL192358 0.73 SLC6A2 (0.46) DRD2SLC6A2SLC6A4SLC6A3HDAC4

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 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 (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-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA DRD2 4345/4885SLC6A2 4011/4885SLC6A4 3433/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 DRD2 4629/4885SLC6A2 2079/4885SLC6A4 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.