SCHEMBL3347069

SCHEMBL3347069

COC(=O)c1cccc(C(OCC#N)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.46
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.44
SLC7A5 Q01650 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HPGD P15428 1/20 0.41
GPR139 Q6DWJ6 2/20 0.40
PARP1 P09874 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL3341254 0.90 GPR17 (0.42) CASRRAB9ASLC7A5LOXL2CYP4F2
SCHEMBL8077058 0.83 ADRB2 (0.40) CASRRAB9ALOXL2ALDH1A1CYP3A4
SCHEMBL3343678 0.81 LOXL2 (0.50) CASRTSHRRAB9ASLC7A5LOXL2
SCHEMBL13305118 0.80 CASR (0.46) CASRTSHRRAB9ASLC7A5LOXL2
SCHEMBL8143043 0.79 LMNA (0.62) CASRTSHRALDH1A1CYP3A4MAPK1
SCHEMBL3343494 0.78 CASR (0.49) CASRTSHRRAB9ASLC7A5LOXL2
SCHEMBL9414519 0.77 MEN1 (0.51) TSHRMAPK1
SCHEMBL9921727 0.76 PARP1 (0.47) CASRTSHRRAB9ASLC7A5LOXL2
SCHEMBL935891 0.75 LOXL2 (0.47) CASRTSHRRAB9ASLC7A5LOXL2
SCHEMBL18602445 0.75 LOXL2 (0.46) CASRTSHRRAB9ASLC7A5LOXL2

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 5 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
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 CASR 1270/4885TSHR 3858/4885RAB9A 458/4885

“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.