SCHEMBL499101

SCHEMBL499101

CNC[C@@H](C)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.48
CYP3A4 P08684 3/20 0.48
HTT P42858 4/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.45
RAB9A P51151 1/20 0.45
RPS6KB1 P23443 3/20 0.40
AURKA O14965 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 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
SCHEMBL499079 1.00 REN (0.48) RENCYP3A4HTTMAPK1TSHR
SCHEMBL499080 1.00 REN (0.48) RENCYP3A4HTTMAPK1TSHR
SCHEMBL499203 0.80 SLC6A4 (0.52) RENCYP3A4HTTMAPK1TSHR
SCHEMBL498922 0.80 SLC6A4 (0.52) RENCYP3A4HTTMAPK1TSHR
SCHEMBL10254075 0.78 REN (0.60) RENCYP3A4
SCHEMBL10258050 0.78 REN (0.60) RENCYP3A4
SCHEMBL10258049 0.78 REN (0.60) RENCYP3A4
SCHEMBL10258042 0.78 REN (0.60) RENCYP3A4
SCHEMBL15107629 0.78 EPHX2 (0.44) RENCYP3A4HTTMAPK1TSHR
SCHEMBL500703 0.76 HPGD (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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 7 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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
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
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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.