SCHEMBL3343098

SCHEMBL3343098

COC(=O)c1cccc(C(OCCN)c2cccc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
GPR17 Q13304 1/20 0.43
SLC7A5 Q01650 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CASR P41180 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38

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) LOXL2SLC7A5CYP4F2CYP4A11CASR
SCHEMBL3343678 0.90 LOXL2 (0.50) LOXL2SLC7A5CYP4F2CYP4A11CASR
SCHEMBL3344191 0.84 CASR (0.42) LOXL2GPR17SLC7A5CYP4F2CYP4A11
SCHEMBL3341254 0.81 GPR17 (0.42) LOXL2GPR17SLC7A5CYP4F2CYP4A11
SCHEMBL13305156 0.81 GPR17 (0.42) LOXL2GPR17SLC7A5CYP4F2CYP4A11
SCHEMBL3346867 0.81 TRPM8 (0.42) LOXL2SLC7A5CYP4F2CYP4A11ADRB2
SCHEMBL3639396 0.79 GAA (0.47)
SCHEMBL3340741 0.78 GPR17 (0.50) LOXL2GPR17SLC7A5CYP4F2CYP4A11
SCHEMBL3643578 0.76 CASR (0.42) LOXL2SLC7A5CYP4F2CYP4A11CASR
SCHEMBL8143043 0.75 LMNA (0.62) CASRALDH1A1

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
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-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 2685/4885GPR17 2943/4885SLC7A5 1761/4885

“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.