SCHEMBL2850285

SCHEMBL2850285

CC(=O)NCCO[C@@H](c1cccc(F)c1-c1cccc(C)c1)C1CN(C(=O)O)CCO1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.49
GRM5 P41594 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
CTSA P10619 1/20 0.32
LMNA P02545 2/20 0.32
GRIN2B Q13224 2/20 0.32

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
SCHEMBL2850288 1.00 REN (0.49) RENGRM5NPC1RAB9ATP53
SCHEMBL14403783 0.91 REN (0.49) RENTP53GRIN2B
SCHEMBL3564789 0.90 REN (0.47) RENTP53LMNA
SCHEMBL3564792 0.90 REN (0.47) RENTP53LMNA
SCHEMBL3564787 0.90 REN (0.47) RENTP53LMNA
SCHEMBL2849337 0.90 REN (0.46) RENGRM5NPC1RAB9ATP53
SCHEMBL4746364 0.90 REN (0.44) RENGRM5NPC1RAB9ATP53
SCHEMBL4746368 0.90 REN (0.44) RENGRM5NPC1RAB9ATP53
SCHEMBL2849335 0.90 REN (0.46) RENGRM5NPC1RAB9ATP53
SCHEMBL5610964 0.87 REN (0.46) RENGRM5NPC1RAB9ACTSA

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-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885GRM5 1565/4885NPC1 1257/4885

“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.