SCHEMBL499262

SCHEMBL499262

CNCCC(OCCNC(=O)OC)c1cc(Cl)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
REN P00797 3/20 0.40
SLC6A4 P31645 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
PYGL P06737 1/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL8080309 1.00 NOS2 (0.41) NOS2RENSLC6A4L3MBTL1CYP3A4
SCHEMBL4755992 0.91 NOS2 (0.43) NOS2SLC6A4CYP3A4HPGDPYGL
SCHEMBL4756782 0.86 IDO1 (0.37) NOS2RENHPGDLMNAALDH1A1
SCHEMBL499203 0.81 SLC6A4 (0.52) NOS2RENSLC6A4CYP3A4LMNA
SCHEMBL498922 0.81 SLC6A4 (0.52) NOS2RENSLC6A4CYP3A4LMNA
SCHEMBL499588 0.80 IDO1 (0.39) RENHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL4753686 0.77 PYGL (0.37) RENL3MBTL1HPGDPYGLLMNA
SCHEMBL15107593 0.75 L3MBTL1 (0.38) RENL3MBTL1HPGDPYGLALDH1A1
SCHEMBL10254107 0.74 REN (0.52) RENCYP3A4
SCHEMBL10253709 0.74 REN (0.52) RENCYP3A4

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 NOS2 3694/4885REN 2/4885SLC6A4 603/4885

“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.