SCHEMBL681338

SCHEMBL681338

CC(C)C(=O)[C@@H](CN1CCCCC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ AKT1S1 Q96B36 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL681336 0.89 MC4R (0.48) USP2
SCHEMBL681298 0.89 MC4R (0.48) USP2
SCHEMBL681256 0.88 LMNA (0.44) —
SCHEMBL679686 0.88 MC4R (0.42) HRH3RPS6KB1AKT1AURKBINCENP
SCHEMBL679673 0.87 TACR2 (0.39) RPS6KB1AKT1AURKBINCENP
SCHEMBL680142 0.87 SIGMAR1 (0.41) HPGDAKT1USP2
SCHEMBL681169 0.87 SIGMAR1 (0.41) HPGDAKT1USP2
SCHEMBL680753 0.87 TACR2 (0.39) RPS6KB1AKT1AURKBINCENP
SCHEMBL681312 0.82 NTSR1 (0.59) HRH3HPGDNTSR1USP2ALOX15
SCHEMBL681153 0.82 NTSR1 (0.59) HRH3HPGDNTSR1USP2ALOX15

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 HRH3 2627/4885HPGD 1065/4885RPS6KB1 237/4885

“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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