SCHEMBL22693191

SCHEMBL22693191

C#C/C=C(C(\C#N)=C/C)/N1CCC(Nc2c(C)cc(C)c(C(=O)N3CCN(c4ccccn4)C(=O)C3)c2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
RPTOR Q8N122 4/20 0.45
MLST8 Q9BVC4 4/20 0.45
DPP4 P27487 1/20 0.33
KDM5A P29375 1/20 0.33
NOS2 P35228 2/20 0.32
SMO Q99835 1/20 0.31
BTK Q06187 5/20 0.30
SYK P43405 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL21360303 0.81 MTOR (0.67) MTORRPTORMLST8DPP4SYK
SCHEMBL22693195 0.80 MTOR (0.51) MTORRPTORMLST8
SCHEMBL21360305 0.80 MTOR (0.62) MTORRPTORMLST8DPP4
SCHEMBL22693118 0.79 MTOR (0.56) MTORRPTORMLST8NOS2ALDH1A1
SCHEMBL22186853 0.78 MTOR (0.53) MTORRPTORMLST8DPP4NOS2
SCHEMBL22693190 0.76 MTOR (0.42) MTORRPTORMLST8
SCHEMBL22693232 0.75 MTOR (0.47) MTORRPTORMLST8ALDH1A1TSHR
SCHEMBL22693176 0.75 MTOR (0.42) MTORRPTORMLST8
SCHEMBL22693157 0.73 MTOR (0.49) MTORRPTORMLST8KDM5ANOS2
SCHEMBL21360417 0.67 MTOR (0.50) MTORRPTORMLST8ALDH1A1TSHR

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.