SCHEMBL22693221

SCHEMBL22693221

C=CCN(c1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.45
RPTOR Q8N122 10/20 0.45
MLST8 Q9BVC4 10/20 0.45
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DRD4 P21917 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
GRM5 P41594 1/20 0.33
PARP1 P09874 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
PMP22 Q01453 1/20 0.33
HCRTR1 O43613 1/20 0.32

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
SCHEMBL20133654 0.92 MTOR (0.47) MTORRPTORMLST8CA12CA1
SCHEMBL20129669 0.92 MTOR (0.48) MTORRPTORMLST8CA12CA1
SCHEMBL22693220 0.90 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20129674 0.84 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL20129636 0.83 MTOR (0.49) MTORRPTORMLST8CA12CA1
SCHEMBL20129662 0.83 MTOR (0.49) MTORRPTORMLST8CA12CA1
SCHEMBL20129673 0.83 MTOR (0.49) MTORRPTORMLST8CA12CA1
SCHEMBL22187879 0.81 CA12 (0.37) MTORRPTORMLST8CA12CA1
SCHEMBL21360326 0.80 MTOR (0.52) MTORRPTORMLST8CA12CA1
SCHEMBL20149883 0.80 MTOR (0.45) MTORRPTORMLST8GRM5PARP1

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.