SCHEMBL2442469

SCHEMBL2442469

COC(=O)N1CC(c2c[nH]c3cc(F)ccc23)C2C1=CCN2C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.34
CCR2 P41597 2/20 0.32
HSD11B1 P28845 2/20 0.32
HTR2A P28223 2/20 0.32
ADRA1D P25100 2/20 0.31
SLC6A4 P31645 2/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
KCNH2 Q12809 1/20 0.31
CTSL P07711 1/20 0.31
CACNA1B Q00975 1/20 0.31
XIAP P98170 2/20 0.31
BIRC3 Q13489 1/20 0.31

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
SCHEMBL2446124 0.90 CTSL (0.42) CTSLCACNA1B
SCHEMBL2445839 0.89 XIAP (0.32) HTR2ASLC6A4DRD2HTR7KCNH2
SCHEMBL2442353 0.88 XIAP (0.41) XIAPBIRC3
SCHEMBL1925033 0.87 DPP9 (0.41) HSD11B1HTR2AADRA1DSLC6A4DRD2
SCHEMBL2442069 0.86 SCN9A (0.33) CCR2HTR2AADRA1DSLC6A4DRD2
SCHEMBL13448815 0.85 HTR2A (0.35) AAK1HSD11B1HTR2AADRA1DSLC6A4
SCHEMBL12299605 0.83 AAK1 (0.35) AAK1CCR2HSD11B1HTR2AADRA1D
SCHEMBL2442467 0.83 AAK1 (0.35) AAK1CCR2HSD11B1HTR2AADRA1D
SCHEMBL12329668 0.81 HSD11B1 (0.36) AAK1CCR2HSD11B1HTR2AADRA1D
SCHEMBL2438546 0.81 HSD11B1 (0.36) AAK1CCR2HSD11B1HTR2AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
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 AAK1 1640/4885CCR2 3192/4885HSD11B1 4339/4885

“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.