SCHEMBL499257

SCHEMBL499257

COCCCOC(CCNC(C)C)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
SLC6A4 P31645 2/20 0.40
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SLC2A1 P11166 2/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.35
NOS2 P35228 1/20 0.34

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
SCHEMBL499635 0.81 REN (0.46) AOC3SLC6A4HPGDLMNAHTT
SCHEMBL4755348 0.80 SLC6A4 (0.43) SLC6A4HPGDLMNAHTTALDH1A1
SCHEMBL499034 0.72 LMNA (0.38) AOC3HPGDLMNAL3MBTL1HTT
SCHEMBL17613053 0.71 AOC3 (0.59) AOC3SLC6A4HPGDLMNAL3MBTL1
SCHEMBL27769297 0.70 AOC3 (0.45) AOC3SLC6A4SLC6A2CYP2D6KMT2A
SCHEMBL499203 0.69 SLC6A4 (0.52) SLC6A4LMNAHTTCYP1A2CYP2C19
SCHEMBL498922 0.69 SLC6A4 (0.52) SLC6A4LMNAHTTCYP1A2CYP2C19
SCHEMBL16959061 0.68 SLC6A4 (0.47) AOC3SLC6A4HPGDLMNAL3MBTL1
SCHEMBL29923966 0.68 AOC3 (0.62) AOC3SLC6A4HPGDSLC6A2SLC6A3
SCHEMBL499694 0.68 REN (0.48) AOC3SLC6A4LMNAHTTCYP1A2

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 AOC3 2000/4885SLC6A4 603/4885HPGD 579/4885

“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.