SCHEMBL22693289

SCHEMBL22693289

C[Si](C)(C)CCOC(=O)NC[C@@H]1CN(CC(=O)OCc2ccccc2)CCN1c1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.34
HTR1D P28221 1/20 0.34
NOS2 P35228 1/20 0.34
CCKBR P32239 2/20 0.34
TSHR P16473 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
LIPE Q05469 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
SCHEMBL22186924 1.00 GLS (0.34) GLSHTR1DNOS2CCKBRTSHR
SCHEMBL20141133 0.82 ADAMTS5 (0.36) GLSHTR1D
SCHEMBL20141335 0.77 ADRB1 (0.38) NOS2
SCHEMBL25835992 0.66 ALDH1A1 (0.42) CYP2C9CYP1A2CYP2C19
SCHEMBL20133756 0.65 GRIN2B (0.43) CYP2C9CYP2D6GRIN2BCYP2C19
SCHEMBL22693288 0.65 GRIN2B (0.43) CYP2C9CYP2D6GRIN2BCYP2C19
SCHEMBL24251635 0.65 ALDH1A1 (0.59) CYP2C9CYP1A2CYP2C19
SCHEMBL25836000 0.65 PPARG (0.43) TSHRCYP2C9CYP1A2CYP2C19
SCHEMBL14446963 0.64 ALDH1A1 (0.52) CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL20323537 0.64 GLA (0.43) TSHRCYP2C9CYP1A2CYP2C19

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 GLS 517/4885HTR1D 2782/4885NOS2 3376/4885

“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.