SCHEMBL4826683

SCHEMBL4826683

O=C1CC(c2ccc3c(c2)OCO3)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
ALDH1A1 P00352 8/20 0.52
MAPT P10636 5/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 4/20 0.51
GAA P10253 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL5902682 0.79 KDM4E (0.43) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL25732175 0.76 CYP19A1 (0.54) LMNAALDH1A1MAPTHPGDMEN1
SCHEMBL181713 0.76 KDM4E (0.56) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL8873657 0.76 KDM4E (0.56) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL29657292 0.76 KDM4E (0.56) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL22133117 0.75 HPGD (0.44) LMNAALDH1A1MAPTHPGDMEN1
SCHEMBL7743895 0.75 EDNRA (0.53) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7660780 0.75 EDNRA (0.53) ALDH1A1MAPTMEN1KMT2A
SCHEMBL5709329 0.75 SLC6A2 (0.50) NPC1RAB9ATSHRTP53CYP1A2
SCHEMBL11128366 0.75 SLC6A2 (0.46) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119547-A1 Aminoindane Derivatives As Serotonin And Norepinephrine Uptake Inhibitors H. LUNDBECK A/S (DK) 2008-05-22 US disclosed
US-7351734-B2 Aminoindane derivatives as serotonin and norepinephrine uptake inhibitors H. LUNDBECK A/S (DK) 2008-04-01 US disclosed
US-20050085530-A1 Aminoindane derivatives as serotonin and norepinephrine uptake inhibitors H. LUNDBECK A/S (DK) 2005-04-21 US disclosed
CN-1606552-A Aminoindane derivatives as serotonin and norepinephrine uptake inhibitors LUNDBECK & CO AS H (DK) 2005-04-13 CN disclosed
EP-1458704-A1 AMINOINDANE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE UPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-09-22 EP disclosed
WO-2003055873-A1 AMINOINDANE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE UPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-07-10 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-20080119547-A1 Aminoindane Derivatives As Serotonin And Norepinephrine Uptake Inhibitors SLC6A2, SLC18A2, SLC6A4 LMNA 1939/4885ALDH1A1 812/4885MAPT 597/4885
US-20050085530-A1 Aminoindane derivatives as serotonin and norepinephrine uptake inhibitors SLC6A2, SLC18A2, SLC6A4 LMNA 1995/4885ALDH1A1 766/4885MAPT 713/4885

“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.