SCHEMBL22693231

SCHEMBL22693231

C#C/C=C(C(\C#N)=C/C)/N1CCC(Nc2cc(C(=O)N3CCN(c4ccccc4)C(C(=O)O)C3)c(C)cc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.43
RPTOR Q8N122 5/20 0.43
MLST8 Q9BVC4 5/20 0.43
FASN P49327 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK7 P50613 2/20 0.31
CCNH P51946 2/20 0.31
MNAT1 P51948 2/20 0.31
CCNK O75909 2/20 0.31
CDK12 Q9NYV4 2/20 0.31
ADORA1 P30542 1/20 0.31
USP30 Q70CQ3 2/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
F11 P03951 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
SCHEMBL22693175 0.94 MTOR (0.48) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693230 0.92 MTOR (0.43) MTORRPTORMLST8SMN1; SMN2
SCHEMBL22693115 0.90 MTOR (0.52) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693149 0.90 MTOR (0.52) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693171 0.90 MTOR (0.41) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693268 0.88 MTOR (0.49) MTORRPTORMLST8SMN1; SMN2USP30
SCHEMBL22693120 0.83 MTOR (0.51) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693157 0.83 MTOR (0.49) MTORRPTORMLST8SMN1; SMN2HCRTR1
SCHEMBL22693122 0.83 MTOR (0.59) MTORRPTORMLST8FASN
SCHEMBL22693269 0.81 MTOR (0.43) MTORRPTORMLST8FASNSMN1; SMN2

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.