SCHEMBL498922

SCHEMBL498922

CNCCC(OCCNC(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.52
REN P00797 8/20 0.47
CYP3A4 P08684 3/20 0.47
NOS2 P35228 2/20 0.47
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL499203 1.00 SLC6A4 (0.52) SLC6A4RENCYP3A4NOS2TSHR
SCHEMBL4754002 0.89 SLC6A4 (0.56) SLC6A4CYP3A4NOS2TSHRCYP1A2
SCHEMBL499635 0.89 REN (0.46) SLC6A4RENCYP3A4TSHRMAPK1
SCHEMBL499694 0.89 REN (0.48) SLC6A4RENCYP3A4TSHRMAPK1
SCHEMBL499256 0.88 REN (0.44) SLC6A4RENCYP3A4TSHRMAPK1
SCHEMBL4754043 0.86 SLC6A4 (0.40) SLC6A4RENCYP3A4NOS2TSHR
SCHEMBL8087673 0.81 REN (0.41) RENCYP3A4TSHRMAPK1HTT
SCHEMBL499262 0.81 NOS2 (0.41) SLC6A4RENCYP3A4NOS2TSHR
SCHEMBL8080309 0.81 NOS2 (0.41) SLC6A4RENCYP3A4NOS2TSHR
SCHEMBL498921 0.80 REN (0.39) RENCYP3A4TSHRMAPK1HTT

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 8 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
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 SLC6A4 603/4885REN 2/4885CYP3A4 1848/4885

“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.