SCHEMBL20129614

SCHEMBL20129614

CC(C)(C)OC(=O)N1CCN(Cc2ccc(CO)cc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
GPR119 Q8TDV5 1/20 0.46
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
NR1H2 P55055 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
DPP4 P27487 2/20 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
SCHEMBL22532823 0.90 TP53 (0.50) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL14103789 0.90 VEGFA (0.53) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL4297578 0.89 NR1H2 (0.50) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL4158417 0.89 DPP4 (0.49) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL1876106 0.89 TP53 (0.49) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL5283535 0.89 TP53 (0.49) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL1049753 0.89 HDAC1 (0.50) TP53HDAC1HDAC6GPR119KMT2A
SCHEMBL2262766 0.88 CYP3A4 (0.52) TP53HDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL1081669 0.88 HDAC1 (0.50) TP53HDAC1HDAC6GPR119VEGFA
SCHEMBL2313905 0.87 TP53 (0.50) TP53HDAC1HDAC6VEGFAEGLN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR TP53 935/4885HDAC1 286/4885HDAC6 132/4885

“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.