SCHEMBL681360

SCHEMBL681360

CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SLC18A3 Q16572 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ PRCP P42785 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 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
SCHEMBL680811 0.90 SLC18A3 (0.42) ALDH1A1SLC18A3HSP90AA1NTSR1KDM4E
SCHEMBL680108 0.87 SIGMAR1 (0.55) ALDH1A1NTSR1KDM4ESIGMAR1L3MBTL1
SCHEMBL681154 0.87 SIGMAR1 (0.55) ALDH1A1NTSR1KDM4ESIGMAR1L3MBTL1
SCHEMBL681321 0.87 SIGMAR1 (0.55) ALDH1A1NTSR1KDM4ESIGMAR1L3MBTL1
SCHEMBL681203 0.83 HTR7 (0.39) ALDH1A1KMT2ASIGMAR1MEN1SMN1; SMN2
SCHEMBL680797 0.83 IGF1R (0.44) ALDH1A1KMT2AHSP90AA1NTSR1KDM4E
SCHEMBL681193 0.80 SIGMAR1 (0.47) KDM4ESIGMAR1L3MBTL1
SCHEMBL12168920 0.79 LMNA (0.46) TP53ALDH1A1KMT2ASIGMAR1MEN1
SCHEMBL12168921 0.79 LMNA (0.46) TP53ALDH1A1KMT2ASIGMAR1MEN1
SCHEMBL680142 0.78 SIGMAR1 (0.41) ALDH1A1KMT2ASIGMAR1MEN1SMN1; SMN2

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 TP53 171/4885ALDH1A1 1715/4885KMT2A 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.

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