SCHEMBL499132

SCHEMBL499132

NC[C@H](C[C@H]1CCCCOC1)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
REN P00797 4/20 0.33
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CPB2 Q96IY4 2/20 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
SCHEMBL3610368 1.00 CYP2D6 (0.36) CYP2D6RENAKT1AKT2AKT3
SCHEMBL4790175 1.00 CYP2D6 (0.36) CYP2D6RENAKT1AKT2AKT3
SCHEMBL2027347 0.96 CYP2D6 (0.33) CYP2D6REN
SCHEMBL4071173 0.96 CYP2D6 (0.33) CYP2D6REN
SCHEMBL3604264 0.87 CNR2 (0.32) CYP2D6
SCHEMBL1866433 0.83 CYP2D6 (0.46) CYP2D6RENAKT1AKT2AKT3
SCHEMBL1862530 0.83 CYP2D6 (0.46) CYP2D6RENAKT1AKT2AKT3
SCHEMBL3615804 0.82 CNR2 (0.32) REN
SCHEMBL4975133 0.82 CNR2 (0.32) REN
SCHEMBL2996749 0.82 CNR2 (0.32) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP CYP2D6 1294/4885REN 2/4885AKT1 4038/4885

“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.