SCHEMBL2442069

SCHEMBL2442069

CCOC(=O)CN1CC(c2c[nH]c3cc(F)ccc23)C2C1=CCN2C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
CCR2 P41597 3/20 0.33
DRD2 P14416 3/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
KCNH2 Q12809 2/20 0.32
CTSL P07711 1/20 0.32
CACNA1B Q00975 2/20 0.31
XIAP P98170 4/20 0.31
BIRC3 Q13489 3/20 0.31
SLC6A4 P31645 1/20 0.31
TNF P01375 4/20 0.31
ADRA1D P25100 1/20 0.30

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
SCHEMBL2437938 0.89 BIRC3 (0.42) XIAPBIRC3TNF
SCHEMBL2442469 0.86 AAK1 (0.34) CCR2DRD2HTR2AHTR7KCNH2
SCHEMBL2446124 0.84 CTSL (0.42) CTSLCACNA1B
SCHEMBL2442067 0.83 DRD2 (0.34) SCN9ACCR2DRD2HTR2AHTR7
SCHEMBL12299628 0.83 DRD2 (0.34) SCN9ACCR2DRD2HTR2AHTR7
SCHEMBL13448815 0.82 HTR2A (0.35) DRD2HTR2AHTR7KCNH2CTSL
SCHEMBL2443816 0.80 XIAP (0.42) XIAPBIRC3TNF
SCHEMBL2438546 0.77 HSD11B1 (0.36) CCR2DRD2HTR2AHTR7KCNH2
SCHEMBL12329668 0.77 HSD11B1 (0.36) CCR2DRD2HTR2AHTR7KCNH2
SCHEMBL2445839 0.77 XIAP (0.32) DRD2HTR2AHTR7KCNH2XIAP

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-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 SCN9A 2036/4885CCR2 3192/4885DRD2 4857/4885

“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.