SCHEMBL3754325

SCHEMBL3754325

O=C(O)CC1C2CCCC1CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
SLC6A12 P48065 5/20 0.37
SLC6A11 P48066 5/20 0.37
SLC6A13 Q9NSD5 5/20 0.37
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
PEPD P12955 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC1A2 P43004 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 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
SCHEMBL1067170 0.89 HSD11B1 (0.61) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL6778107 0.84 HSD11B1 (0.47) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
Hydrochloric Acid SCHEMBL7147422 0.83 HSD11B1 (0.45) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL6749057 0.81 HSD11B1 (0.44) HSD11B1KDM4ETSHRHSD17B10SLC1A2
Oxalic Acid SCHEMBL7148808 0.78 HSD11B1 (0.41) HSD11B1KDM4ETSHRHSD17B10
SCHEMBL3757612 0.77 HSD11B1 (0.38) HSD11B1
SCHEMBL7859286 0.76 HSD11B1 (0.58) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL7046134 0.76 HSD11B1 (0.58) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL20652118 0.75 HSD11B1 (0.39) HSD11B1HSD17B10ITGB3ITGA2B
SCHEMBL24784338 0.75 HSD11B1 (0.41) HSD11B1SLC6A12SLC6A11SLC6A13SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4216713-B2 2009-01-28 JP claimed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP claimed
JP-2004536873-A 2004-12-09 JP claimed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP claimed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO claimed
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
EP-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 HSD11B1 2467/4885SLC6A12 2633/4885SLC6A11 274/4885

“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.