SCHEMBL884586

SCHEMBL884586

CC(C)CC(=O)NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCC[C@H]2O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP19 O94966 4/20 0.34
SLC18A3 Q16572 1/20 0.33
TACR2 P21452 1/20 0.33
TACR3 P29371 1/20 0.33
OPRM1 P35372 1/20 0.33
HTR4 Q13639 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TGM2 P21980 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
POLB P06746 1/20 0.31
REN P00797 1/20 0.31
PARP1 P09874 2/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL885527 1.00 USP19 (0.34) USP19SLC18A3TACR2TACR3OPRM1
SCHEMBL885654 0.95 TP53 (0.35) USP19SLC18A3TACR2TACR3OPRM1
SCHEMBL884966 0.95 TP53 (0.35) USP19SLC18A3TACR2TACR3OPRM1
SCHEMBL884552 0.89 ALDH1A1 (0.33) USP19TACR2TACR3OPRM1HTR4
SCHEMBL884540 0.87 SLC18A3 (0.39) SLC18A3ALDH1A1HPGDSIGMAR1
SCHEMBL884531 0.86 USP19 (0.33) USP19SLC18A3TACR2TACR3OPRM1
SCHEMBL885588 0.85 OPRL1 (0.32) TACR2TACR3OPRM1HTR4KMT2A
SCHEMBL884399 0.84 GAA (0.35) USP19KMT2AMEN1ALDH1A1HPGD
SCHEMBL884513 0.83 HTR1A (0.34) USP19SLC18A3TACR2TACR3OPRM1
SCHEMBL8174764 0.83 SLC18A3 (0.39) USP19SLC18A3RXFP1SIGMAR1REN

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 USP19 1153/4885SLC18A3 2461/4885TACR2 443/4885

“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.