SCHEMBL3083327

SCHEMBL3083327

Cc1cccc(OCCCOc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.46
PDE4B Q07343 1/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3074906 0.91 PDE4B (0.50) GPR119PDE4BKMT2A
SCHEMBL3059539 0.90 PDE4B (0.52) GPR119PDE4BTACR1
SCHEMBL3084820 0.90 PDE4B (0.46) GPR119PDE4BTP53
SCHEMBL3067284 0.90 GPR119 (0.48) GPR119PDE4BTACR1
SCHEMBL3065562 0.88 TACR1 (0.49) GPR119PDE4BKMT2ATACR1
SCHEMBL3085349 0.88 KMT2A (0.50) NPC1TP53MAPTRAB9AKMT2A
SCHEMBL16887152 0.86 GPR119 (0.52) GPR119PDE4BNPC1RAB9AKMT2A
SCHEMBL3076903 0.86 GPR119 (0.54) GPR119PDE4BTACR1
SCHEMBL3071388 0.85 GPR119 (0.49) GPR119PDE4BKMT2ATACR1
SCHEMBL3078429 0.85 GPR119 (0.47) GPR119PDE4BTACR1

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 312/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 GPR119 729/4885PDE4B 312/4885NPC1 794/4885

“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.