SCHEMBL22693126

SCHEMBL22693126

C#C/C=C(C(\C#N)=C/C)/N1CCC(Nc2cc(C(=O)N3CCN(CC(F)(F)F)[C@@H](CO)C3)c(C)cc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
KDM5A P29375 1/20 0.31
FASN P49327 1/20 0.31
PARP1 P09874 2/20 0.30
PARP2 Q9UGN5 2/20 0.30

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
SCHEMBL22693130 1.00 MTOR (0.44) MTORRPTORMLST8KDM5AFASN
SCHEMBL22693120 0.84 MTOR (0.51) MTORRPTORMLST8KDM5AFASN
SCHEMBL22693229 0.84 MTOR (0.43) MTORRPTORMLST8PARP1
SCHEMBL22693189 0.84 MTOR (0.43) MTORRPTORMLST8PARP1
SCHEMBL22693115 0.84 MTOR (0.52) MTORRPTORMLST8FASN
SCHEMBL22693149 0.84 MTOR (0.52) MTORRPTORMLST8FASN
SCHEMBL22693122 0.84 MTOR (0.59) MTORRPTORMLST8KDM5AFASN
SCHEMBL22693198 0.82 MTOR (0.50) MTORRPTORMLST8FASN
SCHEMBL22693193 0.82 MTOR (0.62) MTORRPTORMLST8FASN
SCHEMBL22693271 0.81 MTOR (0.53) MTORRPTORMLST8

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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 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-10844013-B2 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.