SCHEMBL680207

SCHEMBL680207

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.52
KMT2A Q03164 2/20 0.42
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
HSD11B1 P28845 6/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL12323382 0.83 OPRM1 (0.56) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL679757 0.82 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL14213093 0.79 OPRM1 (0.52) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL12104025 0.76 OPRM1 (0.63) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL16565533 0.76 OPRM1 (0.63) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL12227099 0.75 OPRM1 (0.62) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL681284 0.75 DRD2 (0.45) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL10637222 0.73 OPRM1 (0.50) OPRM1KMT2AHSD11B1ALDH1A1LMNA
SCHEMBL684695 0.73 OPRM1 (0.67) OPRM1HSD11B1
SCHEMBL8225720 0.73 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19CXXC5

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 5 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-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 OPRM1 3131/4885KMT2A 2785/4885TET3 2281/4885

“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.