SCHEMBL2062365

SCHEMBL2062365

CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCNCC3)n(CCCNC(=O)CC(C)C)c2=O)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRL1 P41146 3/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
SHMT2 P34897 1/20 0.31
OPRM1 P35372 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL885588 0.96 OPRL1 (0.32) ALDH1A1KMT2AMEN1HPGDOPRL1
SCHEMBL884768 0.89 SLC6A2 (0.38) ALDH1A1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL884476 0.88 LMNA (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL886810 0.87 CTSK (0.33) OPRL1CTSK
SCHEMBL8169739 0.85 SIGMAR1 (0.36) HTR2ATMEM97SIGMAR1
SCHEMBL885654 0.85 TP53 (0.35) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL884966 0.85 TP53 (0.35) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL884696 0.85 POLB (0.34) ALDH1A1HTTSMN1; SMN2LMNAPKM
SCHEMBL886272 0.84 ALDH1A1 (0.32) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL886061 0.84 PLD2 (0.37) ALDH1A1KDM4ESIGMAR1

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 9 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
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 ALDH1A1 947/4885KDM4E 2733/4885KMT2A 4058/4885

“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.