SCHEMBL499635

SCHEMBL499635

COC(=O)NCCOC(CCNC(C)C)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.46
CYP3A4 P08684 3/20 0.44
HTT P42858 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.42
SLC6A4 P31645 1/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AOC3 Q16853 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL4755348 0.90 SLC6A4 (0.43) RENHTTMEN1KMT2ATSHR
SCHEMBL498922 0.89 SLC6A4 (0.52) RENCYP3A4HTTMEN1KMT2A
SCHEMBL499203 0.89 SLC6A4 (0.52) RENCYP3A4HTTMEN1KMT2A
SCHEMBL499694 0.87 REN (0.48) RENCYP3A4HTTMEN1KMT2A
SCHEMBL499256 0.86 REN (0.44) RENCYP3A4HTTMEN1KMT2A
SCHEMBL499257 0.81 AOC3 (0.40) HTTMEN1KMT2AMAPTCYP1A2
SCHEMBL8087673 0.79 REN (0.41) RENCYP3A4HTTMEN1KMT2A
SCHEMBL4754002 0.78 SLC6A4 (0.56) CYP3A4KMT2ATSHRCYP1A2LMNA
SCHEMBL498921 0.78 REN (0.39) RENCYP3A4HTTMEN1KMT2A
SCHEMBL499264 0.78 REN (0.39) RENCYP3A4HTTMEN1KMT2A

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-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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885CYP3A4 1848/4885HTT 1270/4885

“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.