SCHEMBL3634522

SCHEMBL3634522

CC(C)(CN)CCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL23539820 0.78 CYP2D6 (0.33) CYP2D6CYP2C19FFAR1CPT2TDP1
SCHEMBL4077716 0.77 GRM4 (0.38) CYP2D6CYP2C19KDM4C
SCHEMBL4936016 0.77 KDM4E (0.48) KDM4ECYP2D6CYP2C19
SCHEMBL5489345 0.77 SIGMAR1 (0.44) CYP2D6CYP2C19KDM4C
SCHEMBL4334873 0.76 CYP2D6 (0.34) CYP2D6CYP2C19KDM4C
SCHEMBL5807159 0.75 ALDH1A1 (0.43) CYP2D6CYP2C19FFAR1CPT2TDP1
SCHEMBL30096633 0.74 ALDH1A1 (0.32)
SCHEMBL11982017 0.72 KDM4E (0.43) KDM4ECYP2D6CYP2C19
SCHEMBL28035771 0.72 KDM4E (0.43) KDM4ECYP2D6CPB1CPB2FFAR1
SCHEMBL22035035 0.71 CYP2D6 (0.31) CYP2D6CYP2C19

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-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 KDM4E 3763/4885CYP2D6 1886/4885CYP2C19 2600/4885

“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.