SCHEMBL3343512

SCHEMBL3343512

CN(C[C@H](CC1CCCCC1)NC(=O)c1cccc(C=O)c1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.36
CTSL P07711 7/20 0.36
CTSK P43235 4/20 0.36
CTSB P07858 1/20 0.36
GPR132 Q9UNW8 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2RL1 P55085 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 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
SCHEMBL3343509 1.00 CTSS (0.36) CTSSCTSLCTSKCTSBGPR132
SCHEMBL1861541 0.89 CTSL (0.39) CTSSCTSLCTSKCTSBGPR132
SCHEMBL1861544 0.89 CTSL (0.39) CTSSCTSLCTSKCTSBGPR132
SCHEMBL2995977 0.88 MEN1 (0.48) CTSSCTSLCTSKCTSBGPR132
SCHEMBL1866531 0.88 CTSL (0.39) CTSSCTSLCTSKCTSBGPR132
SCHEMBL1866530 0.88 CTSL (0.39) CTSSCTSLCTSKCTSBGPR132
SCHEMBL2995972 0.88 MEN1 (0.48) CTSSCTSLCTSKCTSBGPR132
SCHEMBL3590304 0.86 CTSL (0.37) CTSSCTSLCTSKCTSBGPR132
SCHEMBL1860160 0.86 CTSL (0.37) CTSSCTSLCTSKCTSBGPR132
SCHEMBL1860676 0.84 REN (0.36) CTSSCTSLCTSKCTSBHTT

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-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP CTSS 56/4885CTSL 61/4885CTSK 71/4885

“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.