SCHEMBL22693149

SCHEMBL22693149

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.52
RPTOR Q8N122 6/20 0.52
MLST8 Q9BVC4 6/20 0.52
CHRM4 P08173 1/20 0.31
FASN P49327 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RORC P51449 1/20 0.30
FFAR1 O14842 1/20 0.30
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
CDK7 P50613 2/20 0.30
CCNH P51946 2/20 0.30
MNAT1 P51948 2/20 0.30
CCNK O75909 1/20 0.30
CDK12 Q9NYV4 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL22693115 1.00 MTOR (0.52) MTORRPTORMLST8CHRM4FASN
SCHEMBL22693120 0.93 MTOR (0.51) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693269 0.91 MTOR (0.43) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693122 0.91 MTOR (0.59) MTORRPTORMLST8FASN
SCHEMBL22693230 0.90 MTOR (0.43) MTORRPTORMLST8SMN1; SMN2
SCHEMBL22693231 0.90 MTOR (0.43) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693193 0.90 MTOR (0.62) MTORRPTORMLST8FASNHCRTR1
SCHEMBL22693185 0.90 MTOR (0.41) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL22693175 0.89 MTOR (0.48) MTORRPTORMLST8FASNSMN1; SMN2
SCHEMBL22693198 0.89 MTOR (0.50) MTORRPTORMLST8FASNCCNA2

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.