SCHEMBL684695

SCHEMBL684695

CCC(=O)C1(c2ccc(Cl)cc2)CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.67
SLC22A1 O15245 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNH2 Q12809 1/20 0.49
HSD11B1 P28845 3/20 0.48
SLC18A3 Q16572 1/20 0.46

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
SCHEMBL13545175 0.87 HSD11B1 (0.51) OPRM1HSD11B1SLC18A3
SCHEMBL10274482 0.84 OPRM1 (0.67) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL2550 0.84 HDAC4 (0.54) OPRM1HSD11B1
SCHEMBL13267655 0.83 HDAC4 (0.57) OPRM1SLC6A4HSD11B1
SCHEMBL16565533 0.83 OPRM1 (0.63) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL12104025 0.83 OPRM1 (0.63) OPRM1HSD11B1
SCHEMBL12227099 0.81 OPRM1 (0.62) OPRM1HSD11B1
SCHEMBL29384359 0.81 DRD3 (0.52) OPRM1ADRA1A
SCHEMBL684441 0.80 DRD2 (0.51) OPRM1HSD11B1
SCHEMBL8226666 0.79 OPRM1 (0.59) OPRM1HSD11B1

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-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRM1 3168/4885SLC22A1 3303/4885SLC6A4 2692/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA OPRM1 4473/4885SLC22A1 2849/4885SLC6A4 2442/4885

“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.