SCHEMBL2026754

SCHEMBL2026754

COC(=O)NCCOC(c1cccc(Cl)c1)c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.44
ADRB3 P13945 9/20 0.44
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
REN P00797 5/20 0.39
CYP3A4 P08684 2/20 0.39
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APEX1 P27695 1/20 0.38
ADRB2 P07550 1/20 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
SCHEMBL12581031 0.91 ADRB1 (0.45) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL1567463 0.85 HTT (0.45) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL1567460 0.85 HTT (0.45) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL2027451 0.84 ADRB3 (0.42) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL2027362 0.83 HTT (0.43) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL3340697 0.81 HPGD (0.45) HTTTSHRMAPK1MEN1MAPT
SCHEMBL8082795 0.81 HTT (0.45) HTTTSHRMAPK1MEN1MAPT
SCHEMBL1568426 0.81 ADRB2 (0.47) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL10069575 0.80 HTT (0.41) ADRB1ADRB3HTTTSHRMAPK1
SCHEMBL10068970 0.80 HTT (0.41) ADRB1ADRB3HTTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2009154766-A1 RENIN INHIBITORS AND METHOD OF USE THEREOF VITAE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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 (2 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP ADRB1 691/4885ADRB3 999/4885HTT 1504/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 ADRB1 262/4885ADRB3 373/4885HTT 2665/4885

“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.