SCHEMBL885708

SCHEMBL885708

COCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCNCC3)[nH]c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.54
NTRK1 P04629 4/20 0.42
NTRK3 Q16288 4/20 0.42
NTRK2 Q16620 4/20 0.42
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2063195 0.95 REN (0.60) RENNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL885512 0.92 REN (0.45) RENNTRK1NTRK3NTRK2PIK3CD
SCHEMBL885460 0.91 REN (0.47) RENNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL885859 0.87 REN (0.50) RENNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL8177413 0.87 REN (0.41) RENNTRK1NTRK3NTRK2
SCHEMBL885458 0.87 REN (0.53) RENNTRK1NTRK3NTRK2ALDH1A1
SCHEMBL885623 0.85 NTRK1 (0.48) RENNTRK1NTRK3NTRK2
SCHEMBL2062523 0.84 REN (0.51) RENALDH1A1KDM4E
SCHEMBL2063138 0.83 SIGMAR1 (0.49) RENALDH1A1HPGDHSD17B10
SCHEMBL885747 0.83 NTRK1 (0.47) NTRK1NTRK3NTRK2ALDH1A1KDM4E

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 11 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
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 REN 1/4885NTRK1 4304/4885NTRK3 4244/4885

“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.