SCHEMBL20282970

SCHEMBL20282970

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 6/20 0.40
OPRM1 P35372 2/20 0.39
HDAC4 P56524 1/20 0.38
CYP2D6 P10635 3/20 0.37
HSD11B1 P28845 3/20 0.37
AKT1 P31749 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL680932 0.86 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL684402 0.81 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL12219063 0.79 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL681492 0.78 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL681051 0.77 DRD2 (0.51) DRD2OPRM1HDAC4HSD11B1AKT1
SCHEMBL13012452 0.76 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL17424825 0.76 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL192358 0.75 SLC6A2 (0.46) DRD2SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL681284 0.75 DRD2 (0.45) DRD2SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL684441 0.75 DRD2 (0.51) DRD2OPRM1HDAC4HSD11B1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 DRD2 4186/4885SLC6A2 3153/4885SLC6A4 2692/4885

“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.