SCHEMBL3078201

SCHEMBL3078201

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOc4ccc5c(c4)OCO5)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
CYP3A4 P08684 3/20 0.39
UTS2R Q9UKP6 4/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
BMP1 P13497 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL3083196 0.93 REN (0.43) RENCYP3A4UTS2RMAPTTSHR
SCHEMBL3070229 0.92 REN (0.41) RENCYP3A4UTS2RTSHR
SCHEMBL3071824 0.92 REN (0.40) RENCYP3A4UTS2RTSHR
SCHEMBL3411234 0.92 REN (0.43) RENCYP3A4UTS2RPOLBMAPT
SCHEMBL3060432 0.92 REN (0.44) RENCYP3A4UTS2RTSHRCYP1A2
SCHEMBL3071960 0.91 REN (0.41) RENCYP3A4UTS2RTP53POLB
SCHEMBL3074149 0.91 REN (0.39) RENCYP3A4UTS2RTSHR
SCHEMBL3415361 0.91 UTS2R (0.44) RENCYP3A4UTS2RTP53LMNA
SCHEMBL3420321 0.91 REN (0.41) RENCYP3A4UTS2RTSHR
SCHEMBL3070380 0.91 REN (0.39) RENCYP3A4UTS2RTP53THRB

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 REN 1/4885CYP3A4 29/4885UTS2R 514/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885UTS2R 514/4885

“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.