SCHEMBL20133652

SCHEMBL20133652

COCc1cccc(N2CCC(Nc3cc(C(=O)OC)c(C)cc3C)C(C)(C)C2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTOR P42345 3/20 0.38
RPTOR Q8N122 3/20 0.38
MLST8 Q9BVC4 3/20 0.38
POLB P06746 1/20 0.35
DPP4 P27487 2/20 0.34
OPRK1 P41145 1/20 0.34
CD274 Q9NZQ7 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
F10 P00742 1/20 0.33
BDKRB1 P46663 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL20129604 0.85 MTOR (0.47) KDM4EALDH1A1MTORRPTORMLST8
SCHEMBL20129600 0.76 MTOR (0.49) KDM4EALDH1A1MTORRPTORMLST8
SCHEMBL20133848 0.75 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10MTOR
SCHEMBL20133856 0.71 MTOR (0.56) KDM4EALDH1A1MTORRPTORMLST8
SCHEMBL20129666 0.70 MTOR (0.62) KDM4EALDH1A1HPGDMTORRPTOR
SCHEMBL22693207 0.69 L3MBTL1 (0.33) KDM4EALDH1A1HSD17B10POLBCD274
SCHEMBL20150181 0.69 MTOR (0.54) ALDH1A1MTORRPTORMLST8DPP4
SCHEMBL20140903 0.69 MTOR (0.48) KDM4EALDH1A1HPGDMTORRPTOR
SCHEMBL20129657 0.69 MTOR (0.48) KDM4EALDH1A1HPGDMTORRPTOR
SCHEMBL20133651 0.68 MTOR (0.57) MTORRPTORMLST8DPP4KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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 (2 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-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR KDM4E 253/4885ALDH1A1 3942/4885HPGD 3204/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR KDM4E 253/4885ALDH1A1 3942/4885HPGD 3204/4885

“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.