SCHEMBL3083182

SCHEMBL3083182

CC(=O)NCCc1ccc(F)cc1OCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCOc2cccc(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
MAPT P10636 1/20 0.39
MTNR1A P48039 10/20 0.38
MTNR1B P49286 10/20 0.38
GPR119 Q8TDV5 4/20 0.37
TACR1 P25103 1/20 0.36
REN P00797 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 0.92 PDE4B (0.39) PDE4BMAPTMTNR1AMTNR1BGPR119
SCHEMBL3059850 0.91 MTNR1A (0.42) MTNR1AMTNR1BREN
SCHEMBL3067279 0.90 YAP1 (0.42) PDE4BMAPTGPR119TACR1
SCHEMBL3071466 0.90 REN (0.46) PDE4BMAPTREN
SCHEMBL3081602 0.89 MAPT (0.40) PDE4BMAPTGPR119TACR1
SCHEMBL3081355 0.85 REN (0.47) PDE4BMAPTREN
SCHEMBL3085482 0.85 PDE4B (0.40) PDE4BMAPTMTNR1AMTNR1BGPR119
SCHEMBL3074079 0.85 MAPT (0.42) PDE4BMAPTREN
SCHEMBL3076145 0.84 PDE4B (0.46) PDE4BMAPTMTNR1AMTNR1BGPR119
SCHEMBL3419667 0.84 S1PR3 (0.40) PDE4BMAPTGPR119TACR1

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 312/4885MAPT 2397/4885MTNR1A 2695/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885MAPT 2397/4885MTNR1A 2695/4885

“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.