SCHEMBL22693177

SCHEMBL22693177

C#C/C=C(C(\Cl)=C/C)/N1CCC(Nc2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.62
RPTOR Q8N122 8/20 0.62
MLST8 Q9BVC4 8/20 0.62
GRM5 P41594 1/20 0.39
NAMPT P43490 1/20 0.37
HSD11B1 P28845 1/20 0.36
DRD4 P21917 3/20 0.36
TACR3 P29371 1/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FASN P49327 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL22693151 0.88 MTOR (0.60) MTORRPTORMLST8GRM5NAMPT
SCHEMBL20133739 0.87 MTOR (0.78) MTORRPTORMLST8GRM5NAMPT
SCHEMBL20133751 0.86 MTOR (0.72) MTORRPTORMLST8GRM5NAMPT
SCHEMBL20150218 0.84 MTOR (0.74) MTORRPTORMLST8GRM5NAMPT
SCHEMBL22693146 0.83 MTOR (0.73) MTORRPTORMLST8GRM5NAMPT
SCHEMBL22693096 0.83 MTOR (0.43) MTORRPTORMLST8
SCHEMBL21360385 0.83 MTOR (0.72) MTORRPTORMLST8GRM5NAMPT
SCHEMBL20149902 0.83 MTOR (0.72) MTORRPTORMLST8GRM5NAMPT
SCHEMBL22693225 0.82 MTOR (0.54) MTORRPTORMLST8KDM4ELMNA
SCHEMBL21360383 0.81 MTOR (0.72) MTORRPTORMLST8GRM5NAMPT

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.