SCHEMBL2024921

SCHEMBL2024921

C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)[C@H](CC1CCOCC1)N(CC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
FFAR2 O15552 1/20 0.36
NPY5R Q15761 11/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY2R P49146 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CCR5 P51681 1/20 0.34
AOC3 Q16853 1/20 0.33

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
SCHEMBL8078131 0.83 GAA (0.43) GAAFFAR2NPY5RKDM4EALDH1A1
SCHEMBL2024919 0.81 GAA (0.41) GAAFFAR2NPY5RKDM4EALDH1A1
SCHEMBL2024918 0.77 GAA (0.41) GAANPY5RKDM4EALDH1A1NPY2R
SCHEMBL3643875 0.73 PSEN1 (0.36) FFAR2
SCHEMBL2028296 0.73 PSEN1 (0.36) FFAR2
SCHEMBL1107460 0.72 GAA (0.40) GAANPY5RKDM4EALDH1A1NPY2R
SCHEMBL7910584 0.71 PSEN1 (0.47) GAANPY5RALDH1A1OPRM1OPRD1
SCHEMBL8152205 0.70 GAA (0.51) GAANPY5RKDM4EALDH1A1NPY2R
SCHEMBL2668154 0.69 GAA (0.36) GAAFFAR2NPY5RNPY2ROPRM1
SCHEMBL2020672 0.67 GAA (0.59) GAANPY5RKDM4EALDH1A1NPY2R

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-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

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 GAA 36/4885FFAR2 4612/4885NPY5R 2086/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 GAA 157/4885FFAR2 4013/4885NPY5R 624/4885

“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.