SCHEMBL3343678

SCHEMBL3343678

COC(=O)c1cccc(C(OCCN)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
SLC7A5 Q01650 1/20 0.47
CASR P41180 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ROCK2 O75116 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3641704 0.91 LOXL2 (0.47) LOXL2SLC7A5CASRALDH1A1MAPK1
SCHEMBL3343098 0.90 LOXL2 (0.48) LOXL2SLC7A5CASRALDH1A1CYP4F2
SCHEMBL8143043 0.85 LMNA (0.62) CASRTSHRALDH1A1CYP3A4MAPK1
SCHEMBL3343494 0.84 CASR (0.49) LOXL2SLC7A5CASRTSHRRAB9A
SCHEMBL3346867 0.83 TRPM8 (0.42) LOXL2SLC7A5RAB9ACYP3A4CYP4F2
SCHEMBL3639396 0.81 GAA (0.47) SLC6A4SLC6A3
SCHEMBL3347069 0.81 CASR (0.46) LOXL2SLC7A5CASRTSHRRAB9A
SCHEMBL13305118 0.81 CASR (0.46) LOXL2SLC7A5CASRTSHRRAB9A
SCHEMBL7288351 0.76 SCN1A (0.57) TSHRMAPK1HTR1AADRA1ASLC6A4
SCHEMBL3643578 0.76 CASR (0.42) LOXL2SLC7A5CASRHTR1AADRA1D

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-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
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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 (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 LOXL2 2685/4885SLC7A5 1761/4885CASR 1270/4885

“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.