SCHEMBL2849337

SCHEMBL2849337

Cc1cccc(-c2c(F)cccc2C(OCCN)C2CN(C(=O)O)CCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.46
TP53 P04637 1/20 0.33
GRM5 P41594 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SLC6A9 P48067 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
LMNA P02545 1/20 0.32
GRIN2B Q13224 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
CTSA P10619 1/20 0.31
GRIN1 Q05586 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
SCHEMBL2849335 1.00 REN (0.46) RENTP53GRM5NPC1RAB9A
SCHEMBL4746368 0.93 REN (0.44) RENTP53GRM5NPC1RAB9A
SCHEMBL4746364 0.93 REN (0.44) RENTP53GRM5NPC1RAB9A
SCHEMBL5610962 0.91 REN (0.46) RENGRM5NPC1RAB9ACTSA
SCHEMBL5610964 0.91 REN (0.46) RENGRM5NPC1RAB9ACTSA
SCHEMBL3557756 0.90 REN (0.43) RENTP53LMNA
SCHEMBL3557758 0.90 REN (0.43) RENTP53LMNA
SCHEMBL5592225 0.90 REN (0.42) RENTP53GRM5NPC1RAB9A
SCHEMBL5592227 0.90 REN (0.42) RENTP53GRM5NPC1RAB9A
SCHEMBL2850288 0.90 REN (0.49) RENTP53GRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 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-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885TP53 2524/4885GRM5 1565/4885

“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.