SCHEMBL2440387

SCHEMBL2440387

CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(c1c[nH]c3cc(F)ccc13)CN2C1CCCC1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.35
DRD2 P14416 3/20 0.34
HTR2A P28223 3/20 0.34
HTR7 P34969 2/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A4 P31645 2/20 0.33
HSD11B1 P28845 1/20 0.33
ADRA1D P25100 2/20 0.33
CCKAR P32238 1/20 0.32

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
SCHEMBL12299545 1.00 ELANE (0.35) ELANEDRD2HTR2AHTR7KCNH2
SCHEMBL12299766 0.88 TNF (0.42) DRD2HTR2AHTR7KCNH2
SCHEMBL2440956 0.88 TNF (0.42) DRD2HTR2AHTR7KCNH2
SCHEMBL12329641 0.88 TNF (0.42) DRD2HTR2AHTR7KCNH2
SCHEMBL2439389 0.86 SLC6A4 (0.38) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL12299538 0.86 SLC6A4 (0.38) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL13448813 0.86 SLC6A4 (0.38) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL12299552 0.84 DPP8 (0.41) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL2439712 0.84 DPP8 (0.41) DRD2HTR2AHTR7KCNH2SLC6A4
SCHEMBL2438546 0.83 HSD11B1 (0.36) DRD2HTR2AHTR7KCNH2SLC6A4

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 ELANE 692/4885DRD2 4857/4885HTR2A 4101/4885

“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.