SCHEMBL884513

SCHEMBL884513

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
KCNH2 Q12809 1/20 0.34
USP19 O94966 4/20 0.33
TACR2 P21452 1/20 0.32
TACR3 P29371 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC18A3 Q16572 1/20 0.32
CNR2 P34972 1/20 0.32
ACP1 P24666 1/20 0.31
HTR7 P34969 1/20 0.31
REN P00797 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL884531 0.95 USP19 (0.33) HTR1AKCNH2USP19TACR2TACR3
SCHEMBL2063820 0.89 REN (0.32) HTR1AKCNH2USP19TACR2TACR3
SCHEMBL884440 0.88 HTR7 (0.36) SLC18A3HTR7
SCHEMBL884791 0.88 HTR7 (0.36) SLC18A3HTR7
SCHEMBL884966 0.86 TP53 (0.35) USP19TACR2TACR3OPRM1SLC18A3
SCHEMBL885654 0.86 TP53 (0.35) USP19TACR2TACR3OPRM1SLC18A3
SCHEMBL886810 0.85 CTSK (0.33) HTR1AKCNH2CNR2ACP1REN
SCHEMBL2062649 0.84 USP19 (0.32) USP19TACR2TACR3OPRM1REN
SCHEMBL884523 0.84 MMP3 (0.35)
SCHEMBL885527 0.83 USP19 (0.34) USP19TACR2TACR3OPRM1SLC18A3

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 HTR1A 2474/4885KCNH2 971/4885USP19 1153/4885

“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.