SCHEMBL3777213

SCHEMBL3777213

COc1ccc(C[C@H](N)C(=O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TPH1 P17752 2/20 0.41
DPP4 P27487 2/20 0.41
FAP Q12884 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MMP1 P03956 1/20 0.39
ACACB O00763 1/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 1/20 0.39
CACNA1B Q00975 1/20 0.38
SLC7A5 Q01650 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 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
SCHEMBL7286634 0.85 SLC7A5 (0.49) L3MBTL1SLC7A5
SCHEMBL106531 0.81 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL7346010 0.81 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL7518497 0.81 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL9848480 0.79 DPP4 (0.40) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL7329603 0.79 SLC6A4 (0.50) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL4519177 0.77 GPR142 (0.46) LDHATPH1DPP4FAPDPP8
SCHEMBL3777215 0.77 LDHA (0.46) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL13010331 0.77 LDHA (0.46) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8143842 0.76 SLC6A4 (0.50) LDHASLC6A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 LDHA 843/4885SLC6A4 2399/4885CYP1A2 2277/4885

“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.