SCHEMBL20133653

SCHEMBL20133653

CCOC(=O)c1cc(N(CC)C2CCN(c3ccc(COC)cc3C#N)CC2C)c(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.37
CYP2C9 P11712 5/20 0.37
CYP3A4 P08684 3/20 0.36
CHRM2 P08172 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL20133692 0.90 P2RY12 (0.39) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL20129664 0.87 ALDH1A1 (0.39) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL22693207 0.85 L3MBTL1 (0.33) P2RY12MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL20129668 0.78 ADAM17 (0.39) CYP3A4DRD3KDM4EALDH1A1
SCHEMBL20129671 0.76 ALDH1A1 (0.42) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL20149883 0.70 MTOR (0.45) ALDH1A1
SCHEMBL20133654 0.70 MTOR (0.47)
SCHEMBL20129672 0.66 MTOR (0.42) CYP2C9CYP3A4DRD3KDM4EALDH1A1
SCHEMBL20129630 0.65 MTOR (0.42) P2RY12CYP2C9CYP3A4DRD3KDM4E
SCHEMBL20129663 0.65 MTOR (0.42) CYP2C9CYP3A4DRD3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
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 (3 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 P2RY12 1391/4885CYP2C9 4040/4885CYP3A4 3827/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR P2RY12 1391/4885CYP2C9 4040/4885CYP3A4 3827/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR P2RY12 1391/4885CYP2C9 4040/4885CYP3A4 3827/4885

“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.