SCHEMBL12188472

SCHEMBL12188472

CC(=O)[C@@H](CN1CCN(C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MC4R P32245 2/20 0.54
TSHR P16473 2/20 0.53
SLC6A2 P23975 2/20 0.52
TP53 P04637 1/20 0.48
NTSR1 P30989 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
SLC6A9 P48067 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
BCL2 P10415 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 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
SCHEMBL12188339 1.00 MEN1 (0.54) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL684688 0.89 ALDH1A1 (0.48) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL684992 0.89 ALDH1A1 (0.48) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL14295079 0.88 ALDH1A1 (0.48) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL14288313 0.88 ALDH1A1 (0.48) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL12219561 0.88 ALDH1A1 (0.48) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL12188535 0.88 NTSR1 (0.56) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL12188434 0.88 NTSR1 (0.56) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL684408 0.88 NTSR1 (0.56) MEN1KMT2AMC4RTSHRSLC6A2
SCHEMBL684723 0.88 NTSR1 (0.59) TSHRNTSR1ALDH1A1HTTPOLB

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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 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 (5 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MEN1 1888/4885KMT2A 1785/4885MC4R 3750/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MEN1 1677/4885KMT2A 1884/4885MC4R 3860/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MEN1 1677/4885KMT2A 1884/4885MC4R 3860/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MEN1 1677/4885KMT2A 1884/4885MC4R 3860/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MEN1 1677/4885KMT2A 1884/4885MC4R 3860/4885

“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.