SCHEMBL22693267

SCHEMBL22693267

CNC(=O)C1CN(C(=O)c2cc(N(C)C3CCN(c4ccccc4C#N)CC3)c(C)cc2C)CCN1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.48
RPTOR Q8N122 9/20 0.48
MLST8 Q9BVC4 9/20 0.48
ALDH1A1 P00352 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM5 P41594 1/20 0.35
SMO Q99835 1/20 0.34
FASN P49327 2/20 0.34
DPP4 P27487 1/20 0.34
NAMPT P43490 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33

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
SCHEMBL21360358 0.85 MTOR (0.64) MTORRPTORMLST8GRM1GRM5
SCHEMBL21360387 0.85 MTOR (0.64) MTORRPTORMLST8GRM1GRM5
SCHEMBL20140972 0.84 MTOR (0.56) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL21360386 0.83 MTOR (0.63) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20140787 0.80 MTOR (0.44) MTORRPTORMLST8ALDH1A1GRM1
SCHEMBL21340100 0.78 MTOR (0.64) MTORRPTORMLST8GRM1GRM5
SCHEMBL20141681 0.78 MTOR (0.44) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL21360326 0.77 MTOR (0.52) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL21360357 0.77 MTOR (0.62) MTORRPTORMLST8GRM1GRM5
SCHEMBL21360348 0.77 MTOR (0.62) MTORRPTORMLST8GRM1GRM5

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.