SCHEMBL3109458

SCHEMBL3109458

COC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1CC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
GLS O94925 2/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NR1H2 P55055 1/20 0.34
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL3115144 0.89 CTSS (0.39) CTSLCTSBCTSSGLSHTR2C
SCHEMBL3117164 0.87 GLS (0.41) CTSLCTSBCTSSGLSHTR2C
SCHEMBL24288915 0.85 GLS (0.40) CTSLCTSBCTSSGLSHTR2C
SCHEMBL3102227 0.84 KDM4E (0.42) CTSLCTSBCTSSGLSHTR2C
SCHEMBL3115671 0.82 GLS (0.42) GLSHTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL3881728 0.81 GLS (0.40) GLSHTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL30965056 0.81 GLS (0.40) GLSHTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL3110201 0.80 GLS (0.43) CTSLCTSBCTSSGLSHTR2C
SCHEMBL3105133 0.80 GLS (0.39) CTSLCTSBCTSSGLSHTR2C
SCHEMBL3107114 0.80 GLS (0.38) CTSLCTSBCTSSGLSHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 CTSL 75/4885CTSB 86/4885CTSS 83/4885

“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.