SCHEMBL885986

SCHEMBL885986

CC(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)CC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
FAAH O00519 1/20 0.34
PARP1 P09874 3/20 0.33
PDE6D O43924 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTGIR P43119 2/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL885006 0.87 ALDH1A1 (0.37) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL886063 0.87 ALDH1A1 (0.35) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL884885 0.87 BTK (0.35) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL884945 0.86 KMT2A (0.45) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL2062699 0.86 KMT2A (0.45) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL885985 0.86 ROCK2 (0.37) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL884507 0.86 REN (0.39) ALDH1A1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL884466 0.86 KDM4E (0.42) ALDH1A1FAAHKMT2ALMNAMAPT
SCHEMBL2062327 0.86 KDM4E (0.42) ALDH1A1FAAHKMT2ALMNAMAPT
SCHEMBL2062692 0.86 KDM4E (0.42) ALDH1A1FAAHKMT2ALMNAMAPT

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 6 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-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 947/4885USP2 2836/4885CYP1A2 292/4885

“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.