SCHEMBL884589

SCHEMBL884589

O=C(c1c(-c2ccccc2)n(C2CCCC[C@H]2O)c(=O)n1CCNS(=O)(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
PTGES O14684 2/20 0.35
SLC18A3 Q16572 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PPARG P37231 1/20 0.33
KDM1A O60341 1/20 0.33
HTR7 P34969 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
F7 P08709 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL884440 0.95 HTR7 (0.36) ALOX15PTGESSLC18A3ALDH1A1LMNA
SCHEMBL884791 0.95 HTR7 (0.36) ALOX15PTGESSLC18A3ALDH1A1LMNA
SCHEMBL884531 0.87 USP19 (0.33) SLC18A3ITGB3ITGA2BHTR7RXFP1
SCHEMBL2062777 0.87 MEN1 (0.34) ALOX15PTGESALDH1A1PPARGKDM1A
SCHEMBL884540 0.85 SLC18A3 (0.39) SLC18A3ALDH1A1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL8174764 0.84 SLC18A3 (0.39) SLC18A3SMN1; SMN2RXFP1SIGMAR1
SCHEMBL884320 0.83 LMNA (0.39) PTGESALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL885714 0.83 POLB (0.35) ALOX15PTGESALDH1A1LMNAHTT
SCHEMBL884513 0.83 HTR1A (0.34) SLC18A3HTR7
SCHEMBL2063305 0.83 MEN1 (0.34) ALOX15ALDH1A1LMNAPPARGHTR7

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 ALOX15 1398/4885PTGES 364/4885SLC18A3 2461/4885

“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.