SCHEMBL3081520

SCHEMBL3081520

COCCCC(OC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCC#N)cc1)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
MAOB P27338 7/20 0.34
MAOA P21397 6/20 0.34
DRD2 P14416 8/20 0.34
DRD4 P21917 7/20 0.34
DRD3 P35462 7/20 0.34
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL3071261 0.92 DDB1 (0.36) DDB1CRBNMAOBMAOADRD2
SCHEMBL3079636 0.92 DRD2 (0.37) MAOBMAOADRD2DRD4DRD3
SCHEMBL3418852 0.91 DRD2 (0.40) DRD2DRD4DRD3
SCHEMBL3066434 0.91 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL3061202 0.90 DDB1 (0.34) DDB1CRBNMAOBMAOADRD2
SCHEMBL3072859 0.90 DDB1 (0.38) DDB1CRBNMAOBMAOADRD2
SCHEMBL3417423 0.90 DRD2 (0.42) DRD2DRD4DRD3
SCHEMBL3259421 0.89 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL3065748 0.89 DRD2 (0.39) DRD2DRD4DRD3
SCHEMBL3418655 0.89 DRD2 (0.40) DDB1CRBNDRD2DRD4DRD3

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 DDB1 3611/4885CRBN 3463/4885MAOB 43/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 DDB1 3611/4885CRBN 3463/4885MAOB 43/4885

“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.