SCHEMBL884485

SCHEMBL884485

O=C(NCCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCC[C@H]2O)c1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR3 P51677 1/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
CCR2 P41597 1/20 0.35
DPP4 P27487 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PLD2 O14939 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
SCHEMBL884418 1.00 SLC18A3 (0.38) SLC18A3SLC6A2SLC6A4L3MBTL3L3MBTL1
SCHEMBL884540 0.95 SLC18A3 (0.39) SLC18A3SLC6A2SLC6A4SIGMAR1ALDH1A1
SCHEMBL885654 0.87 TP53 (0.35) SLC18A3KDM4EALDH1A1SMN1; SMN2DRD3
SCHEMBL884966 0.87 TP53 (0.35) SLC18A3KDM4EALDH1A1SMN1; SMN2DRD3
SCHEMBL884492 0.87 SLC6A2 (0.35) SLC6A2SLC6A4L3MBTL3L3MBTL1KDM4E
SCHEMBL884791 0.85 HTR7 (0.36) SLC18A3KDM4EALDH1A1SMN1; SMN2
SCHEMBL884440 0.85 HTR7 (0.36) SLC18A3KDM4EALDH1A1SMN1; SMN2
SCHEMBL8174764 0.84 SLC18A3 (0.39) SLC18A3SIGMAR1SMN1; SMN2
SCHEMBL884768 0.83 SLC6A2 (0.38) SLC6A2SLC6A4L3MBTL3L3MBTL1SIGMAR1
SCHEMBL10224835 0.83 PLD2 (0.35) SLC6A2SLC6A4SIGMAR1KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT SLC18A3 2461/4885SLC6A2 787/4885SLC6A4 1693/4885

“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.