SCHEMBL2452133

SCHEMBL2452133

CC(C)(C)OC(=O)N1CCCC1C(CCO)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.41
DRD2 P14416 4/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2A P28223 3/20 0.37
HTR7 P34969 3/20 0.37
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 1/20 0.36
RIPK1 Q13546 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL13448836 0.91 BRD3 (0.39) BRD3DRD2SLC6A4HTR2AHTR7
SCHEMBL2451890 0.89 BRD3 (0.36) BRD3DRD2SLC6A4HTR2AHTR7
SCHEMBL2452129 0.86 APP (0.39) BRD3DRD2HTR2AHTR7NR1H2
SCHEMBL2449392 0.86 BRD3 (0.38) BRD3DRD2SLC6A4HTR2AHTR7
SCHEMBL13448818 0.82 TGM2 (0.41)
SCHEMBL2631835 0.78 TDO2 (0.35) BRD3DRD2SLC6A4HTR2AHTR7
SCHEMBL12329378 0.78 CYP1A2 (0.35) BRD3HTR2ANR1H2NR1H3TDO2
SCHEMBL12037508 0.77 HTR1B (0.43) BRD3DRD2HTR2AHTR7APP
SCHEMBL2453968 0.77 HTR1B (0.43) BRD3DRD2HTR2AHTR7APP
SCHEMBL2631836 0.77 DRD2 (0.34) BRD3DRD2SLC6A4HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920093-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2018-03-20 US disclosed
US-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160052965-A1 Dimeric IAP Inhibitors TetraLogic Birinapant UK Ltd. (GB) 2016-02-25 US disclosed
US-9187490-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2015-11-17 US disclosed
US-20140329823-A1 Dimeric IAP Inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-11-06 US disclosed
US-8822525-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-09-02 US disclosed
EP-1851200-B1 DIMERIC IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2014-01-15 EP disclosed
US-20130289042-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-8497297-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-30 US disclosed
US-20110301151-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2011-12-08 US disclosed
EP-2385038-A1 Dimeric IAP inhibitors Tetralogic Pharmaceuticals Corporation (US) 2011-11-09 EP disclosed
US-8022230-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-09-20 US disclosed
US-20100075911-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7517906-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20060194741-A1 Dimeric IAP inhibitors MEDIVIR AB (SE) 2006-08-31 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 (7 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-20100075911-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 BRD3 1233/4885DRD2 4457/4885SLC6A4 3375/4885
US-20110301151-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 BRD3 1233/4885DRD2 4457/4885SLC6A4 3375/4885
US-20140329823-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 BRD3 1233/4885DRD2 4457/4885SLC6A4 3375/4885
US-20160052965-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 BRD3 1233/4885DRD2 4457/4885SLC6A4 3375/4885
US-20060194741-A1 Dimeric IAP inhibitors BIRC2, BIRC3, BIRC5 BRD3 926/4885DRD2 4570/4885SLC6A4 3577/4885
US-20160355547-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 BRD3 1233/4885DRD2 4457/4885SLC6A4 3375/4885
US-20130289042-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 BRD3 1233/4885DRD2 4457/4885SLC6A4 3375/4885

“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.