SCHEMBL3077696

SCHEMBL3077696

C=CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LIPE Q05469 1/20 0.41
TACR1 P25103 1/20 0.41
ENPP2 Q13822 1/20 0.40
PDE4B Q07343 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL16887152 0.85 GPR119 (0.52) GPR119ALDH1A1MEN1KMT2APDE4B
SCHEMBL6041719 0.85 MEN1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL6956320 0.84 MEN1 (0.40) GPR119ALDH1A1MEN1KMT2ALIPE
SCHEMBL3078951 0.83 ALDH1A1 (0.57) GPR119ALDH1A1MEN1KMT2APDE4B
SCHEMBL8194766 0.83 ALDH1A1 (0.57) GPR119ALDH1A1MEN1KMT2APDE4B
SCHEMBL16874742 0.83 YAP1 (0.54) GPR119TACR1JAK2
SCHEMBL16874865 0.83 YAP1 (0.54) GPR119TACR1JAK2
SCHEMBL3059539 0.83 PDE4B (0.52) GPR119TACR1PDE4BJAK2
SCHEMBL16874807 0.83 YAP1 (0.54) GPR119TACR1JAK2
SCHEMBL3071701 0.83 YAP1 (0.54) GPR119TACR1JAK2

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 729/4885ALDH1A1 142/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 GPR119 729/4885ALDH1A1 142/4885MEN1 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.