SCHEMBL20133557

SCHEMBL20133557

CC(C)(C)OC(=O)N1CCN(CC(=O)OCc2ccccc2)C[C@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 4/20 0.41
ABCB1 P08183 1/20 0.41
HTT P42858 1/20 0.40
KLK7 P49862 1/20 0.40
DPP4 P27487 1/20 0.39
AGTR2 P50052 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
SCHEMBL20133538 1.00 PARP1 (0.49) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL22904459 1.00 PARP1 (0.49) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL22693284 0.90 PARP1 (0.48) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL21844096 0.86 PARP1 (0.46) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL22904330 0.85 PARP1 (0.45) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL22904439 0.85 PARP1 (0.45) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL12780700 0.85 SIGMAR1 (0.52) PARP1NR1H2NR1H3SIGMAR1DPP4
SCHEMBL8240100 0.85 SIGMAR1 (0.52) PARP1NR1H2NR1H3SIGMAR1DPP4
SCHEMBL20129602 0.84 PARP1 (0.63) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL2420439 0.84 PARP1 (0.63) PARP1NR1H2NR1H3PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
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 (3 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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR PARP1 718/4885NR1H2 4624/4885NR1H3 4543/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PARP1 718/4885NR1H2 4624/4885NR1H3 4543/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PARP1 718/4885NR1H2 4624/4885NR1H3 4543/4885

“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.