SCHEMBL8225720

SCHEMBL8225720

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.59
HSD11B1 P28845 6/20 0.48
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TET3 O43151 1/20 0.45
FBXL19 Q6PCT2 1/20 0.45
CXXC5 Q7LFL8 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
CXXC4 Q9H2H0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL12158567 0.87 HSD11B1 (0.51) OPRM1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL15113219 0.84 HDAC4 (0.54) HSD11B1ALDH1A1LMNAMAPT
SCHEMBL16565533 0.83 OPRM1 (0.63) OPRM1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL12104025 0.83 OPRM1 (0.63) OPRM1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL14213093 0.82 OPRM1 (0.52) OPRM1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL12227099 0.81 OPRM1 (0.62) OPRM1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL12167850 0.80 DRD2 (0.51) OPRM1HSD11B1LMNAMAPT
SCHEMBL8226666 0.79 OPRM1 (0.59) OPRM1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL684695 0.79 OPRM1 (0.67) OPRM1HSD11B1
SCHEMBL679757 0.79 OPRM1 (0.59) OPRM1HSD11B1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO 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 (6 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-20130065908-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA OPRM1 4543/4885HSD11B1 1878/4885KMT2A 2290/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK OPRM1 4477/4885HSD11B1 1766/4885KMT2A 2343/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRM1 3168/4885HSD11B1 381/4885KMT2A 1884/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 OPRM1 3131/4885HSD11B1 871/4885KMT2A 2785/4885
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 OPRM1 3131/4885HSD11B1 871/4885KMT2A 2785/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 OPRM1 3168/4885HSD11B1 381/4885KMT2A 1884/4885

“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.