SCHEMBL3069725

SCHEMBL3069725

COc1ccccc1CCOCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
PDE4B Q07343 2/20 0.38
ADAM17 P78536 2/20 0.36
ALOX12 P18054 1/20 0.36
STS P08842 2/20 0.35
TGFBR1 P36897 1/20 0.35
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL3065672 0.92 PDE4B (0.40) GPR119PDE4BADAM17
SCHEMBL3073211 0.91 REN (0.42) GPR119PDE4BADAM17
SCHEMBL3078335 0.91 RAB9A (0.36) ADAM17RAB9AMEN1PKMKMT2A
SCHEMBL3415043 0.90 PDE4B (0.40) GPR119PDE4BADAM17
SCHEMBL3085070 0.89 GPR119 (0.46) GPR119PDE4BADAM17STSTGFBR1
SCHEMBL3084695 0.87 PDE4B (0.42) GPR119PDE4B
SCHEMBL3078630 0.85 PDE4B (0.41) PDE4BRAB9AKMT2A
SCHEMBL3418645 0.85 STS (0.48) GPR119STSTGFBR1
SCHEMBL3069998 0.84 GPR119 (0.44) GPR119PDE4BADAM17STS
SCHEMBL3072042 0.84 PDE4B (0.40) GPR119PDE4BRAB9A

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 GPR119 729/4885PDE4B 312/4885ADAM17 2276/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 GPR119 729/4885PDE4B 312/4885ADAM17 2276/4885

“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.