SCHEMBL12299538

SCHEMBL12299538

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1[C@H](c1c[nH]c3cc(F)ccc13)CN2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
HSD11B1 P28845 3/20 0.37
ADRA1D P25100 2/20 0.37
IDO1 P14902 1/20 0.36
HTR7 P34969 2/20 0.36
KCNH2 Q12809 2/20 0.36
BRD3 Q15059 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL2439389 1.00 SLC6A4 (0.38) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL13448813 1.00 SLC6A4 (0.38) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL12329382 0.88 DRD2 (0.40) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL12299545 0.86 ELANE (0.35) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL2440387 0.86 ELANE (0.35) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL13448846 0.85 DRD2 (0.39) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL12299552 0.85 DPP8 (0.41) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL2439712 0.85 DPP8 (0.41) SLC6A4DRD2HTR2AHSD11B1ADRA1D
SCHEMBL1923727 0.84 TDO2 (0.39) SLC6A4DRD2HTR2AADRA1DIDO1
SCHEMBL12299635 0.84 TDO2 (0.39) SLC6A4DRD2HTR2AADRA1DIDO1

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 5 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-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
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 SLC6A4 4458/4885DRD2 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.