SCHEMBL3079896

SCHEMBL3079896

O=C1COc2ccc(COC3CCCCO3)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.53
NR3C2 P08235 3/20 0.50
DRD4 P21917 7/20 0.47
DRD2 P14416 6/20 0.47
MMP12 P39900 1/20 0.44
GAA P10253 1/20 0.44
DRD3 P35462 2/20 0.43
CHEK1 O14757 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28678694 0.73 PARP1 (0.63) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL93066 0.72 SLC6A4 (0.41) DRD4
SCHEMBL13927875 0.71 PARP1 (0.58) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL532134 0.70 PARP1 (1.00) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL28693938 0.70 PARP1 (0.72) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL554735 0.70 PARP1 (0.72) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL351961 0.70 PARP1 (0.72) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL12776191 0.70 PARP1 (0.71) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL2120689 0.70 PARP1 (0.65) PARP1NR3C2DRD4DRD2MMP12
SCHEMBL11006154 0.69 PARP1 (0.70) PARP1NR3C2DRD4DRD2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 PARP1 3253/4885NR3C2 24/4885DRD4 532/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PARP1 3253/4885NR3C2 24/4885DRD4 532/4885

“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.