SCHEMBL8076505

SCHEMBL8076505

COC(=O)NCCOC(c1ccccc1)c1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CASR P41180 2/20 0.43
HPGD P15428 2/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 1/20 0.39
TBXA2R P21731 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3338753 0.99 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL3641253 0.92 ALDH1A1 (0.41) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL3343494 0.91 CASR (0.49) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL3343503 0.91 ALDH1A1 (0.40) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL1567460 0.91 HTT (0.45) HTTALDH1A1MAPTHPGD
SCHEMBL1567463 0.91 HTT (0.45) HTTALDH1A1MAPTHPGD
Lithium Ion SCHEMBL3338747 0.89 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BHTT
SCHEMBL3341164 0.85 REN (0.39) HTTALDH1A1MAPTSLC6A4SLC6A3
SCHEMBL2027362 0.84 HTT (0.43) HTTMAPTCASRHPGD
SCHEMBL3643578 0.83 CASR (0.42) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP HTR1A 3341/4885ADRA1D 1038/4885ADRA1A 972/4885

“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.