SCHEMBL3072292

SCHEMBL3072292

COC(=O)NCCc1ccccc1OCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCOCc2ccccc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
REN P00797 15/20 0.43
NPC1 O15118 1/20 0.39
APOBEC3A P31941 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 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
SCHEMBL3084618 0.95 REN (0.48) PDE4BRENNPC1APOBEC3ARAB9A
SCHEMBL3074079 0.94 MAPT (0.42) PDE4BRENMAPT
SCHEMBL3420312 0.94 NPC1 (0.45) PDE4BRENNPC1APOBEC3ARAB9A
SCHEMBL3082461 0.93 PDE4B (0.43) PDE4BRENNPC1APOBEC3ARAB9A
SCHEMBL3085683 0.93 PDE4B (0.43) PDE4BRENNPC1APOBEC3ARAB9A
SCHEMBL3082900 0.91 PDE4B (0.44) PDE4BREN
SCHEMBL3079274 0.91 REN (0.45) RENNPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL3085685 0.91 PDE4B (0.43) PDE4BRENMAPT
SCHEMBL3083492 0.91 PDE4B (0.43) PDE4BREN
SCHEMBL3065188 0.91 PDE4B (0.44) PDE4BREN

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 PDE4B 312/4885REN 1/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885REN 1/4885NPC1 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.