SCHEMBL3207672

SCHEMBL3207672

Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.56
HTR1A P08908 2/20 0.48
SLC6A2 P23975 2/20 0.48
MAPT P10636 2/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP2D6 P10635 1/20 0.48
ADRB3 P13945 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
PTGS2 P35354 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
GHSR Q92847 1/20 0.48

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
SCHEMBL1013895 0.83 SRD5A2 (0.64) SRD5A2HTR1ASLC6A2MAPTMLNR
SCHEMBL31530782 0.83 SRD5A2 (0.64) SRD5A2HTR1ASLC6A2MAPTMLNR
SCHEMBL4653784 0.82 HTR1A (0.54) SRD5A2HTR1ASLC6A2MAPTMLNR
SCHEMBL3915851 0.82 HTR1A (0.53) SRD5A2HTR1ASLC6A2MAPTMLNR
SCHEMBL5851147 0.81 KDM4E (0.47) SRD5A2HTR1ASLC6A2MAPTMLNR
SCHEMBL5852333 0.81 ALDH1A1 (0.50) SRD5A2MAPTMAPK1SMN1; SMN2CASP1
SCHEMBL6099860 0.80 SRD5A2 (0.45) SRD5A2HTR1ASLC6A2MAPTMLNR
SCHEMBL5851095 0.78 ALDH1A1 (0.52) SRD5A2SLC6A2MAPTSLC6A3MAPK1
SCHEMBL3051266 0.77 ALDH1A1 (0.65) MAPTMAPK1SMN1; SMN2CASP1MEN1
SCHEMBL6099854 0.77 SRD5A2 (0.46) SRD5A2HTR1ASLC6A2MAPTMLNR

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-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
EP-1960356-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS Ilypsa, Inc. (US) 2008-08-27 EP disclosed
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 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 (2 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-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP SRD5A2 1755/4885HTR1A 637/4885SLC6A2 1614/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 SRD5A2 2976/4885HTR1A 2119/4885SLC6A2 1642/4885

“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.