SCHEMBL681308

SCHEMBL681308

CCCN1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.46
TSHR P16473 1/20 0.44
NTSR1 P30989 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
SLC6A9 P48067 1/20 0.41
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL681311 1.00 MC4R (0.46) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL680736 0.91 ALDH1A1 (0.49) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL680943 0.91 ALDH1A1 (0.49) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL680129 0.90 MC4R (0.55) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL12193957 0.90 ALDH1A1 (0.46) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL680969 0.90 ALDH1A1 (0.46) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL680125 0.90 MC4R (0.55) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL681334 0.90 ALDH1A1 (0.46) MC4RTSHRNTSR1MEN1KMT2A
SCHEMBL679611 0.87 NTSR1 (0.56) MC4RTSHRNTSR1KMT2AALDH1A1
SCHEMBL679633 0.87 NTSR1 (0.53) MC4RTSHRNTSR1SLC6A9SLC6A2

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 4 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-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-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MC4R 3860/4885TSHR 4108/4885NTSR1 4515/4885

“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.