SCHEMBL8001005

SCHEMBL8001005

CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)OCc1ccccc1)CC1CCCOC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
CYP1A2 P05177 1/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
KLK7 P49862 4/20 0.38
KLK5 Q9Y337 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 1/20 0.37
REN P00797 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL2025474 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL2024498 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL2025373 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL7988112 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL2022224 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL2023544 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL7992205 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL2025069 1.00 SYK (0.43) SYKCYP1A2CTSLCTSSCTSK
SCHEMBL8000973 0.86 KDM4E (0.42) CTSLCTSSCTSKCTSBMEN1
SCHEMBL8076391 0.86 KDM4E (0.42) CTSLCTSSCTSKCTSBMEN1

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-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
WO-2009154766-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF VITAE PHARMACEUTICALS, INC. (US) 2009-12-23 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-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 SYK 2988/4885CYP1A2 3186/4885CTSL 47/4885

“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.