SCHEMBL20133713

SCHEMBL20133713

COc1cc(C)c(NC2CCN(c3ccccc3C#N)CC2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.55
RPTOR Q8N122 7/20 0.55
MLST8 Q9BVC4 7/20 0.55
THRB P10828 1/20 0.43
EHMT2 Q96KQ7 3/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
IDO1 P14902 1/20 0.40
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL20133694 0.93 MTOR (0.54) MTORRPTORMLST8THRBEHMT2
SCHEMBL20129637 0.89 MTOR (0.64) MTORRPTORMLST8THRBDRD4
SCHEMBL20142261 0.89 MTOR (0.51) MTORRPTORMLST8THRBEHMT2
SCHEMBL20133693 0.87 MTOR (0.54) MTORRPTORMLST8THRBEHMT2
SCHEMBL20129691 0.86 MTOR (0.63) MTORRPTORMLST8DRD4DRD3
SCHEMBL20129666 0.85 MTOR (0.62) MTORRPTORMLST8THRBDRD4
SCHEMBL20133551 0.85 MTOR (0.57) MTORRPTORMLST8THRBDRD4
SCHEMBL20141193 0.84 MTOR (0.55) MTORRPTORMLST8THRBDRD4
SCHEMBL20133700 0.83 MTOR (0.62) MTORRPTORMLST8DRD4DRD3
SCHEMBL20133858 0.83 MTOR (0.58) MTORRPTORMLST8DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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 (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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 7/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 7/4885

“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.