SCHEMBL12730331

SCHEMBL12730331

CC(C)c1cccc2c1n(C(C)C)c(=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.37
DAO P14920 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NR1H3 Q13133 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL12730330 0.91 DAO (0.37) NR1H2DAOCA12CA9CHRM2
SCHEMBL28353847 0.82 HTR4 (0.47) NR1H2CA12CA9CHRM2CHRM4
SCHEMBL12730106 0.79 NR1H2 (0.37) NR1H2CA12CA9CHRM2CHRM4
SCHEMBL12730383 0.78 NR1H2 (0.38) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL12730385 0.76 NR1H2 (0.35) NR1H2CA12CA9SLC6A2HTR4
SCHEMBL12730116 0.76 NR1H2 (0.39) NR1H2NR1H3SLC6A2HTR4
SCHEMBL12730332 0.74 DAO (0.57) NR1H2DAOCA12CA9CHRM2
SCHEMBL12792497 0.74 USP1 (0.39) NR1H2DAOFAAHCA1CA2
SCHEMBL25231528 0.73 AR (0.39) NR1H2CA12CA9CHRM2CHRM4
SCHEMBL12730138 0.72 GPR119 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA2

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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 NR1H2 740/4885DAO 2850/4885CA12 3735/4885

“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.