SCHEMBL884552

SCHEMBL884552

CCC(=O)N[C@H]1CCCCC1n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCNC(=O)CC(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
USP19 O94966 4/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.32
TACR2 P21452 1/20 0.32
TACR3 P29371 1/20 0.32
OPRM1 P35372 1/20 0.32
HPGD P15428 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR4 Q13639 1/20 0.31
MEN1 O00255 1/20 0.30
NAMPT P43490 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 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
SCHEMBL884399 0.96 GAA (0.35) ALDH1A1USP19LMNAGAAMAPT
SCHEMBL884196 0.90 CHRM1 (0.36) ALDH1A1GAAMAPTKMT2AOPRM1
SCHEMBL8178068 0.89 ALDH1A1 (0.33) ALDH1A1USP19LMNAGAAMAPT
SCHEMBL885527 0.89 USP19 (0.34) ALDH1A1USP19KMT2ATACR2TACR3
SCHEMBL884586 0.89 USP19 (0.34) ALDH1A1USP19KMT2ATACR2TACR3
SCHEMBL2062649 0.88 USP19 (0.32) ALDH1A1USP19MTNR1AMTNR1BTACR2
SCHEMBL2062777 0.85 MEN1 (0.34) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL884492 0.85 SLC6A2 (0.35) ALDH1A1LMNAGAAMAPTPKM
SCHEMBL2063820 0.85 REN (0.32) ALDH1A1USP19LMNAGAAMAPT
SCHEMBL885654 0.84 TP53 (0.35) ALDH1A1USP19LMNAGAAMAPT

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 ALDH1A1 947/4885USP19 1153/4885MTNR1A 2274/4885

“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.