SCHEMBL3073452

SCHEMBL3073452

COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
STS P08842 2/20 0.46
GPR119 Q8TDV5 2/20 0.45
SRC P12931 1/20 0.45
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45
PDE4B Q07343 2/20 0.44
MMP1 P03956 4/20 0.43
MMP9 P14780 4/20 0.43
MMP3 P08254 3/20 0.43
MMP7 P09237 3/20 0.43
HTT P42858 1/20 0.43
MMP13 P45452 3/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP8 P22894 2/20 0.41
MMP2 P08253 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
SCHEMBL19168647 0.87 ALDH1A1 (0.56) ALDH1A1STSGPR119SRCBACE1
SCHEMBL3065061 0.86 PDE4B (0.51) ALDH1A1STSGPR119PDE4B
SCHEMBL3072427 0.86 YAP1 (0.50) STSGPR119
SCHEMBL3065405 0.86 KMT2A (0.45) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL3418645 0.83 STS (0.48) ALDH1A1STSGPR119MMP1MMP9
SCHEMBL3065059 0.83 PDE4B (0.41) ALDH1A1STSGPR119PDE4B
SCHEMBL3065220 0.83 REN (0.46) PDE4B
SCHEMBL16141381 0.83 PDE4B (0.55) ALDH1A1STSGPR119SRCBACE1
SCHEMBL16108008 0.83 PDE4B (0.55) ALDH1A1STSGPR119SRCBACE1
SCHEMBL16108007 0.83 PDE4B (0.55) ALDH1A1STSGPR119SRCBACE1

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 ALDH1A1 142/4885STS 1329/4885GPR119 729/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885STS 1329/4885GPR119 729/4885

“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.