SCHEMBL22693265

SCHEMBL22693265

C#C/C=C(C(\C#N)=C/C)/N1CCC(N(CCC)c2cc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)c(C)cc2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MTOR P42345 4/20 0.36
RPTOR Q8N122 4/20 0.36
MLST8 Q9BVC4 4/20 0.36
GFER P55789 1/20 0.32
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 3/20 0.31
HTT P42858 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL22693222 0.95 CA12 (0.36) CA12CA1CA2CA9MTOR
SCHEMBL22693178 0.95 CA12 (0.37) CA12CA1CA2CA9MTOR
SCHEMBL22693148 0.92 CA12 (0.36) CA12CA1CA2CA9MTOR
SCHEMBL22693116 0.90 CA12 (0.38) CA12CA1CA2CA9MTOR
SCHEMBL20129673 0.85 MTOR (0.49) CA12CA1CA2CA9MTOR
SCHEMBL22693236 0.83 MTOR (0.51) CA12CA1CA2CA9MTOR
SCHEMBL22693159 0.81 MTOR (0.51) CA12CA1CA2CA9MTOR
SCHEMBL22187878 0.81 MTOR (0.40) CA12CA1CA2CA9MTOR
SCHEMBL22693133 0.80 MTOR (0.42) CA12CA1CA2CA9MTOR
SCHEMBL22693179 0.80 MTOR (0.42) CA12CA1CA2CA9MTOR

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 CA12 4849/4885CA1 4540/4885CA2 3770/4885

“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.