SCHEMBL885654

SCHEMBL885654

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
USP19 O94966 4/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
TGM2 P21980 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SLC18A3 Q16572 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL884966 1.00 TP53 (0.35) TP53SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL884586 0.95 USP19 (0.34) ALDH1A1KMT2AHPGDUSP19ADRA1A
SCHEMBL885527 0.95 USP19 (0.34) ALDH1A1KMT2AHPGDUSP19ADRA1A
SCHEMBL884399 0.89 GAA (0.35) TP53SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL884485 0.87 SLC18A3 (0.38) SMN1; SMN2ALDH1A1DRD3SLC18A3KDM4E
SCHEMBL884418 0.87 SLC18A3 (0.38) SMN1; SMN2ALDH1A1DRD3SLC18A3KDM4E
SCHEMBL8178068 0.87 ALDH1A1 (0.33) TP53SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL884513 0.86 HTR1A (0.34) USP19SLC18A3TACR2TACR3OPRM1
SCHEMBL2062365 0.85 ALDH1A1 (0.33) TP53SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL884552 0.84 ALDH1A1 (0.33) ALDH1A1KMT2AHPGDUSP19MAPT

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 10 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

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 TP53 4768/4885SMN1; SMN2 4547/4885ALDH1A1 947/4885

“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.