SCHEMBL1567591

SCHEMBL1567591

CC(C)(C)C(NC(=O)O)[C@H](CN)CC1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GCK P35557 1/20 0.32
CTSS P25774 1/20 0.32
USP30 Q70CQ3 1/20 0.31
CTSD P07339 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
SCHEMBL2024328 0.85 CTSS (0.32) CTSS
SCHEMBL2023551 0.85 CTSS (0.32) CTSS
SCHEMBL2029633 0.85 CTSS (0.32) CTSS
SCHEMBL2023386 0.85 CTSS (0.32) CTSS
SCHEMBL2028712 0.85 CTSS (0.32) CTSS
SCHEMBL2028293 0.81 CNR1 (0.37) CNR1CNR2GCKCTSSUSP30
SCHEMBL973034 0.76 REN (0.33) CNR1CNR2GCKCTSSUSP30
SCHEMBL2027388 0.71 CTSK (0.39) CTSS
SCHEMBL4596150 0.71 AAK1 (0.30)
SCHEMBL3341765 0.70 CACNA2D1 (0.38) CTSS

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 4 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
EP-2307396-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF Vitae Pharmaceuticals, Inc. (US) 2011-04-13 EP 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

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 CNR1 4564/4885CNR2 4689/4885GCK 2675/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 CNR1 3125/4885CNR2 4139/4885GCK 3194/4885

“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.