SCHEMBL680818

SCHEMBL680818

CC(C)C(=O)[C@H](CNC1CCOCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
TEAD1 P28347 3/20 0.39
CTSS P25774 3/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
CCR2 P41597 2/20 0.38
EPHX2 P34913 2/20 0.38
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
OGA O60502 1/20 0.37

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
SCHEMBL681199 0.88 TEAD1 (0.39) TRPV1TEAD1CTSSAKT1AKT2
SCHEMBL12188424 0.88 TRPV1 (0.41) TRPV1TEAD1CTSSAKT1AKT2
SCHEMBL2739250 0.86 TRPV1 (0.41) TRPV1TEAD1CTSSAKT1AKT2
SCHEMBL12168587 0.85 TSHR (0.40) AKT1AKT2AKT3ADRB3
SCHEMBL681452 0.85 CTSS (0.43) CTSSEPHX2
SCHEMBL679641 0.84 AKT3 (0.49) AKT1AKT2AKT3
SCHEMBL680798 0.84 FPR2 (0.39) AKT1AKT2AKT3
SCHEMBL681031 0.84 PDE2A (0.42) CCR2
SCHEMBL681008 0.84 PDE2A (0.41) AKT1AKT2AKT3EPHX2
SCHEMBL12168560 0.80 ALDH1A1 (0.43) AKT1AKT2AKT3

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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (2 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 TRPV1 4714/4885TEAD1 1632/4885CTSS 3262/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 TRPV1 4714/4885TEAD1 1632/4885CTSS 3262/4885

“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.