SCHEMBL2442467

SCHEMBL2442467

COC(=O)N1CC(c2c[nH]c3cc(F)ccc23)C2C1CCN2C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
HSD11B1 P28845 2/20 0.34
ADRA1D P25100 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCR2 P41597 2/20 0.33
SLC6A4 P31645 2/20 0.33
TNF P01375 2/20 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
SCHEMBL12299605 1.00 AAK1 (0.35) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL12329668 0.96 HSD11B1 (0.36) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL2438546 0.96 HSD11B1 (0.36) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL12299647 0.95 HSD11B1 (0.35) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL2443150 0.95 HSD11B1 (0.35) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL2445282 0.93 DRD2 (0.34) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL12299621 0.93 DRD2 (0.34) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL2437448 0.93 HSD11B1 (0.39) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL12299627 0.93 HSD11B1 (0.39) AAK1HSD11B1ADRA1DDRD2HTR2A
SCHEMBL12330068 0.92 HSD11B1 (0.35) AAK1HSD11B1ADRA1DDRD2HTR2A

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 1640/4885HSD11B1 4339/4885ADRA1D 2713/4885

“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.