SCHEMBL499700

SCHEMBL499700

CN(CCN(CCCN)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
PDK2 Q15119 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RIPK1 Q13546 1/20 0.36
AOC3 Q16853 1/20 0.35
AHCY P23526 1/20 0.35
ACHE P22303 1/20 0.34
SLC6A7 Q99884 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LIPE Q05469 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
MTNR1A P48039 2/20 0.33

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
SCHEMBL499688 0.84 ALDH1A1 (0.40) MAPTKDM4EAHCYNPC1ALDH1A1
SCHEMBL4753872 0.83 MAPT (0.50) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL7758742 0.77 ALDH1A1 (0.42) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL30455057 0.74 HTR3E (0.51) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL29004748 0.74 HTR3E (0.51) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL55404 0.73 HDAC6 (0.38) PDK2ACHETRPV4GBA1
SCHEMBL15550751 0.73 HTR3E (0.43) MAPTHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL28028259 0.72 HDAC6 (0.37) PDK2ACHETRPV4GBA1
SCHEMBL499531 0.72 ERCC5 (0.43) MAPTPDK2KDM4ERIPK1ALDH1A1
SCHEMBL20400038 0.71 BCL2A1 (0.44) MAPTNPC1ALDH1A1GAANPSR1

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 MAPT 935/4885PDK2 2610/4885HTR3E 1448/4885

“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.