SCHEMBL3079773

SCHEMBL3079773

COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCNC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.41
MTNR1A P48039 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PDE4B Q07343 1/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TACR1 P25103 1/20 0.39
EPHX2 P34913 1/20 0.38
STS P08842 1/20 0.38
USP7 Q93009 2/20 0.37
TP53 P04637 2/20 0.37
REN P00797 1/20 0.37

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
SCHEMBL3076145 0.94 PDE4B (0.46) MTNR1BMTNR1AMAPTPDE4BNPC1
SCHEMBL3078630 0.92 PDE4B (0.41) MTNR1BMTNR1AMAPTPDE4BNPC1
SCHEMBL3084618 0.91 REN (0.48) MTNR1BMTNR1AMAPTPDE4BNPC1
SCHEMBL3085482 0.90 PDE4B (0.40) MTNR1BMTNR1AMAPTPDE4BNPC1
SCHEMBL3070956 0.90 MTNR1B (0.44) MTNR1BMTNR1AALDH1A1NPC1APOBEC3A
SCHEMBL3081355 0.86 REN (0.47) MAPTPDE4BTP53REN
SCHEMBL3083862 0.86 REN (0.46) MAPTPDE4BTP53REN
SCHEMBL3085140 0.86 REN (0.46) MAPTPDE4BTP53REN
SCHEMBL3071466 0.86 REN (0.46) MAPTPDE4BREN
SCHEMBL3072292 0.85 PDE4B (0.43) MAPTPDE4BNPC1APOBEC3ARAB9A

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 MTNR1B 1389/4885MTNR1A 2695/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MTNR1B 1389/4885MTNR1A 2695/4885MAPT 2397/4885

“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.