SCHEMBL8002296

SCHEMBL8002296

CN(C(=O)OC(C)(C)C)[C@H](CN)CC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.37
CTSD P07339 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSK P43235 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL30453432 0.90 CTSS (0.36) CTSSCTSDCTSLCTSBCTSK
SCHEMBL19400989 0.88 CTSK (0.38) CTSSCTSLCTSBCTSK
SCHEMBL1864365 0.86 CTSK (0.40) CTSSCTSLCTSBCTSK
SCHEMBL27994060 0.86 CTSK (0.40) CTSSCTSLCTSBCTSK
SCHEMBL8079730 0.85 PSEN1 (0.32) CTSSCTSDCTSLCTSB
SCHEMBL3263902 0.85 PSEN1 (0.32) CTSSCTSDCTSLCTSB
SCHEMBL8004071 0.85 PSEN1 (0.32) CTSSCTSDCTSLCTSB
SCHEMBL7998425 0.85 PSEN1 (0.32) CTSSCTSDCTSLCTSB
SCHEMBL8077145 0.85 PSEN1 (0.32) CTSSCTSDCTSLCTSB
SCHEMBL3111079 0.85 PSEN1 (0.32) CTSSCTSDCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed
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
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2009154766-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF VITAE PHARMACEUTICALS, INC. (US) 2009-12-23 WO 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 (2 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 56/4885CTSD 75/4885CTSL 61/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 CTSS 54/4885CTSD 64/4885CTSL 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.