SCHEMBL884696

SCHEMBL884696

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
PKM P14618 1/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
HTR7 P34969 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HCRTR1 O43613 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR2 P34972 1/20 0.33
CTSK P43235 1/20 0.32
PTGES O14684 1/20 0.32
CCR1 P32246 1/20 0.31
SFRP1 Q8N474 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
SCHEMBL885714 0.95 POLB (0.35) POLBALDH1A1PKMITGB3ITGA2B
SCHEMBL884541 0.90 CYP2C19 (0.36) ALDH1A1PKMITGB3ITGA2BLMNA
SCHEMBL8170649 0.90 ALDH1A1 (0.32) POLBALDH1A1PKMHTR7CNR2
SCHEMBL886810 0.89 CTSK (0.33) CNR2CTSK
SCHEMBL8174751 0.88 ACP1 (0.37) ALDH1A1PKMITGB3ITGA2BHTR7
SCHEMBL884768 0.87 SLC6A2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL8169739 0.86 SIGMAR1 (0.36) CNR2
SCHEMBL885599 0.86 HDAC1 (0.33) ALDH1A1ITGB3ITGA2BLMNAHTT
SCHEMBL884320 0.85 LMNA (0.39) ALDH1A1PKMITGB3ITGA2BLMNA
SCHEMBL885631 0.85 CTSK (0.33) HTR7CTSK

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
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

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 POLB 1491/4885ALDH1A1 947/4885PKM 638/4885

“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.