SCHEMBL3074136

SCHEMBL3074136

COCCCC(OC1CN(C(=O)OCc2ccccc2)CCC1c1ccc(O)cc1)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.38
MAOB P27338 8/20 0.38
PDE4B Q07343 1/20 0.37
USP30 Q70CQ3 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
OGT O15294 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR6 P50406 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
SCHEMBL3071126 0.90 SMYD3 (0.36) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3065229 0.90 MAOA (0.38) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3072859 0.88 DDB1 (0.38) MAOAMAOBPDE4BDRD2DRD4
SCHEMBL3205334 0.81 DRD2 (0.39) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3065004 0.81 DRD2 (0.45) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3073888 0.80 DRD2 (0.41) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3415063 0.80 DRD2 (0.41) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3065758 0.80 DRD2 (0.41) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3071456 0.80 DRD2 (0.36) MAOAMAOBDRD2DRD4DRD3
SCHEMBL3079636 0.80 DRD2 (0.37) MAOAMAOBDRD2DRD4DRD3

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 MAOA 85/4885MAOB 43/4885PDE4B 312/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MAOA 85/4885MAOB 43/4885PDE4B 312/4885

“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.