SCHEMBL884720

SCHEMBL884720

CC(C)NC(=O)COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCN(S(=O)(=O)c4cnn(C)c4)C3)c2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 2/20 0.34
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
PTGIR P43119 2/20 0.33
KDM5A P29375 2/20 0.32
LMNA P02545 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
USP1 O94782 1/20 0.32
AVPR1B P47901 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPT P10636 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
SCHEMBL885934 0.94 HTR1A (0.35) HTR1AHTR7ROCK2BCL9CTNNB1
SCHEMBL884530 0.93 BCL9 (0.37) ROCK2ROCK1BCL9CTNNB1PTGIR
SCHEMBL2062532 0.91 HTR1A (0.38) HTR1AHTR7BCL9CTNNB1PTGIR
SCHEMBL885861 0.91 SMN1; SMN2 (0.37) HTR1AHTR7PTGIRLMNAMAPT
SCHEMBL885904 0.90 HTR1A (0.36) HTR1AHTR7BCL9CTNNB1PTGIR
SCHEMBL2062324 0.90 ALDH1A1 (0.38) LMNAMAPT
SCHEMBL884654 0.90 POLB (0.35) HTR1AHTR7BCL9CTNNB1LMNA
SCHEMBL884801 0.90 HTR1A (0.37) HTR1AHTR7BCL9CTNNB1PTGIR
SCHEMBL885437 0.89 ROCK2 (0.36) HTR1AHTR7ROCK2PTGIRLMNA
SCHEMBL2062315 0.89 HTR1A (0.32) HTR1AHTR7BCL9CTNNB1PTGIR

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 HTR1A 2474/4885HTR7 1418/4885ROCK2 903/4885

“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.