SCHEMBL885859

SCHEMBL885859

COCCCOc1cccc(-n2c(-c3ccccc3)c(C(=O)N3CCN(C(=O)O)CC3)[nH]c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.50
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
MCL1 Q07820 1/20 0.39
FAAH O00519 1/20 0.39
NTRK1 P04629 2/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39
USP2 O75604 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
MGLL Q99685 1/20 0.38
TSHR P16473 2/20 0.38
CCKAR P32238 1/20 0.38
NPC1 O15118 2/20 0.37

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
SCHEMBL885512 0.95 REN (0.45) RENDRD2DRD3MCL1FAAH
SCHEMBL2063195 0.92 REN (0.60) RENDRD2DRD3MCL1FAAH
SCHEMBL8170928 0.90 REN (0.46) RENMAPT
SCHEMBL885708 0.87 REN (0.54) RENDRD2DRD3NTRK1NTRK3
SCHEMBL885499 0.86 REN (0.45) RENMCL1FAAHNTRK1NTRK3
SCHEMBL8177413 0.85 REN (0.41) RENNTRK1NTRK3NTRK2MAPT
SCHEMBL885725 0.84 REN (0.47) RENDRD2USP2ALDH1A1HSD17B10
SCHEMBL885581 0.84 FAAH (0.47) RENFAAHNTRK1NTRK3NTRK2
SCHEMBL885458 0.83 REN (0.53) RENMCL1NTRK1NTRK3NTRK2
SCHEMBL2063853 0.82 ALDH1A1 (0.42) USP2ALDH1A1CYP1A2HSD17B10SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 REN 1/4885DRD2 2906/4885DRD3 2112/4885

“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.