SCHEMBL3085482

SCHEMBL3085482

CC(=O)NCCc1ccccc1OCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCOc2ccccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
REN P00797 1/20 0.38
TACR1 P25103 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
HTR6 P50406 2/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAB9A P51151 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL3075977 0.93 PDE4B (0.39) PDE4BKEAP1NFE2L2MTNR1AMTNR1B
SCHEMBL3076145 0.91 PDE4B (0.46) PDE4BMTNR1AMTNR1BRENTACR1
SCHEMBL3081724 0.91 MTNR1A (0.41) MTNR1AMTNR1BRENNPC1APOBEC3A
SCHEMBL3079773 0.90 MTNR1B (0.41) PDE4BMTNR1AMTNR1BRENTACR1
SCHEMBL3084618 0.90 REN (0.48) PDE4BMTNR1AMTNR1BRENNPC1
SCHEMBL3078630 0.88 PDE4B (0.41) PDE4BMTNR1AMTNR1BRENTACR1
SCHEMBL3070407 0.87 REN (0.46) PDE4BRENMAPT
SCHEMBL3059506 0.85 PDE4B (0.44) PDE4BTACR1GPR119HTR6BCHE
SCHEMBL3420312 0.85 NPC1 (0.45) PDE4BRENNPC1APOBEC3ARAB9A
SCHEMBL3083182 0.85 PDE4B (0.40) PDE4BMTNR1AMTNR1BRENTACR1

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 312/4885KEAP1 1189/4885NFE2L2 1416/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885KEAP1 1189/4885NFE2L2 1416/4885

“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.