SCHEMBL20133678

SCHEMBL20133678

Cc1ccccc1N1CCN(C(=O)c2cc(NC3CCN(c4ccccc4C#N)CC3)c(C)nc2C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.59
RPTOR Q8N122 7/20 0.59
MLST8 Q9BVC4 7/20 0.59
KDM4E B2RXH2 4/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TACR3 P29371 1/20 0.42
PHGDH O43175 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CLK1 P49759 1/20 0.42
CFTR P13569 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL20133699 0.96 MTOR (0.61) MTORRPTORMLST8KDM4ETACR3
SCHEMBL20149885 0.89 MTOR (0.54) MTORRPTORMLST8KDM4ECYP2C9
SCHEMBL20133665 0.89 MTOR (0.53) MTORRPTORMLST8KDM4ECYP2C9
SCHEMBL20133707 0.88 MTOR (0.60) MTORRPTORMLST8CYP2C9TACR3
SCHEMBL20150218 0.88 MTOR (0.74) MTORRPTORMLST8KDM4ECYP2C9
SCHEMBL20133739 0.85 MTOR (0.78) MTORRPTORMLST8KDM4ETACR3
SCHEMBL22693263 0.83 MTOR (0.50) MTORRPTORMLST8KDM4ETACR3
SCHEMBL22186829 0.82 MTOR (0.47) MTORRPTORMLST8KDM4ETACR3
SCHEMBL22693146 0.81 MTOR (0.73) MTORRPTORMLST8KDM4ETACR3
SCHEMBL22693238 0.81 MTOR (0.56) MTORRPTORMLST8SMN1; SMN2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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.