SCHEMBL499535

SCHEMBL499535

CN(CCC(O)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
AOC3 Q16853 1/20 0.38
IDO1 P14902 1/20 0.37
ADRB3 P13945 6/20 0.37
ADRB1 P08588 4/20 0.37
ADRB2 P07550 3/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37

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
SCHEMBL499193 0.87 ADRB3 (0.39) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL18551012 0.86 HIF1A (0.43) RIPK1ADRB3ADRB1ADRB2ADRA1A
SCHEMBL6050462 0.85 MEN1 (0.40) RIPK1AOC3SLC6A2SLC6A4
SCHEMBL6050417 0.84 RIPK1 (0.51) RIPK1AOC3SLC6A4
SCHEMBL6050532 0.84 RIPK1 (0.51) RIPK1AOC3SLC6A4
SCHEMBL525671 0.84 RIPK1 (0.51) RIPK1AOC3SLC6A4
SCHEMBL31462773 0.83 CCNE2 (0.35) ADRB2CYP2D6CYP2C19SLC6A4
SCHEMBL31462722 0.82 AOC3 (0.39) RIPK1AOC3IDO1
SCHEMBL31462717 0.82 CCNE2 (0.35) ADRB2CYP2D6CYP2C19SLC6A4
SCHEMBL25107446 0.81 KDM4E (0.39) RIPK1AOC3ADRB3ADRB1ADRB2

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 5 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-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 RIPK1 2175/4885AOC3 2000/4885IDO1 2162/4885

“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.