SCHEMBL2631835

SCHEMBL2631835

CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1[C@H](CN)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 8/20 0.35
DRD2 P14416 3/20 0.35
BRD3 Q15059 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A4 P31645 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.33
DPP4 P27487 1/20 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
SCHEMBL2631836 0.90 DRD2 (0.34) TDO2DRD2BRD3HTR2AHTR7
SCHEMBL12329636 0.87 KMT2A (0.42) HTR2A
SCHEMBL2622086 0.86 TDO2 (0.34) TDO2DRD2BRD3HTR2AHTR7
SCHEMBL13448836 0.85 BRD3 (0.39) TDO2DRD2BRD3HTR2AHTR7
SCHEMBL2115303 0.83 TGM2 (0.41) GPR119ALDH1A1
SCHEMBL12329378 0.82 CYP1A2 (0.35) TDO2BRD3HTR2A
SCHEMBL817916 0.80 CNR2 (0.36) TDO2DRD2BRD3HTR2AHTR7
SCHEMBL2452133 0.78 BRD3 (0.41) TDO2DRD2BRD3HTR2AHTR7
SCHEMBL374903 0.77 GPR84 (0.40) TDO2DRD2BRD3HTR2AHTR7
SCHEMBL12329376 0.77 KMT2A (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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 (3 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 TDO2 4692/4885DRD2 4857/4885BRD3 992/4885
US-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TDO2 4692/4885DRD2 4857/4885BRD3 992/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TDO2 4692/4885DRD2 4857/4885BRD3 992/4885

“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.