SCHEMBL3074906

SCHEMBL3074906

COc1cccc(OCCCOc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
GPR119 Q8TDV5 7/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 3/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL3083327 0.91 GPR119 (0.46) PDE4BGPR119KMT2A
SCHEMBL3059539 0.90 PDE4B (0.52) PDE4BGPR119
SCHEMBL3084820 0.90 PDE4B (0.46) PDE4BGPR119HRH3
SCHEMBL3067284 0.90 GPR119 (0.48) PDE4BGPR119
SCHEMBL3065562 0.88 TACR1 (0.49) PDE4BGPR119KMT2AALDH1A1
SCHEMBL3072493 0.88 HRH3 (0.49) MEN1KMT2AHRH3ALDH1A1
SCHEMBL3073950 0.87 PDE4B (0.56) PDE4BGPR119MEN1KMT2AALDH1A1
SCHEMBL16887152 0.86 GPR119 (0.52) PDE4BGPR119MEN1KMT2AALDH1A1
SCHEMBL3076903 0.86 GPR119 (0.54) PDE4BGPR119
SCHEMBL3071388 0.85 GPR119 (0.49) PDE4BGPR119MEN1KMT2A

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 PDE4B 312/4885GPR119 729/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885GPR119 729/4885MEN1 2817/4885

“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.