SCHEMBL22693158

SCHEMBL22693158

C#C/C=C(C(\C#N)=C/C)/N1CCC(Nc2cc(C(=O)N3CCN(c4cc(F)c(F)cc4C#N)C[C@@H]3C)c(C)cc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.45
RPTOR Q8N122 7/20 0.45
MLST8 Q9BVC4 7/20 0.45
CHRM2 P08172 4/20 0.36
CHRM4 P08173 2/20 0.32
MAPT P10636 2/20 0.31
GRM1 Q13255 2/20 0.31
FASN P49327 1/20 0.31
CHRM1 P11229 3/20 0.30
CHRM5 P08912 1/20 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
SCHEMBL22187865 0.82 MTOR (0.49) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20133735 0.82 MTOR (0.62) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL22693168 0.80 MTOR (0.49) MTORRPTORMLST8MAPTFASN
SCHEMBL22693268 0.76 MTOR (0.49) MTORRPTORMLST8
SCHEMBL22693230 0.76 MTOR (0.43) MTORRPTORMLST8MAPT
SCHEMBL22693156 0.76 MTOR (0.69) MTORRPTORMLST8MAPTFASN
SCHEMBL22693193 0.75 MTOR (0.62) MTORRPTORMLST8GRM1FASN
SCHEMBL22693266 0.75 MTOR (0.71) MTORRPTORMLST8MAPT
SCHEMBL22693225 0.75 MTOR (0.54) MTORRPTORMLST8MAPTFASN
SCHEMBL22693232 0.73 MTOR (0.47) MTORRPTORMLST8MAPT

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.