SCHEMBL3077338

SCHEMBL3077338

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOc4c(F)cccc4F)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.40
UTS2R Q9UKP6 4/20 0.38
CYP3A4 P08684 2/20 0.38
GPR119 Q8TDV5 1/20 0.34
TSHR P16473 1/20 0.34
YAP1 P46937 2/20 0.34
GAA P10253 1/20 0.34
CHRM1 P11229 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1S Q13698 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL3414733 0.94 REN (0.41) RENUTS2RCYP3A4GPR119TSHR
SCHEMBL3065082 0.93 REN (0.43) RENUTS2RCYP3A4GPR119TSHR
SCHEMBL3070229 0.93 REN (0.41) RENUTS2RCYP3A4GPR119TSHR
SCHEMBL3420321 0.93 REN (0.41) RENUTS2RCYP3A4GPR119TSHR
SCHEMBL3071824 0.93 REN (0.40) RENUTS2RCYP3A4GPR119TSHR
SCHEMBL3083196 0.93 REN (0.43) RENUTS2RCYP3A4TSHRYAP1
SCHEMBL3074149 0.92 REN (0.39) RENUTS2RCYP3A4GPR119TSHR
SCHEMBL3417452 0.92 REN (0.41) RENCYP3A4TSHRGAACHRM1
SCHEMBL3411234 0.92 REN (0.43) RENUTS2RCYP3A4TSHRCHRM1
SCHEMBL3071960 0.91 REN (0.41) RENUTS2RCYP3A4TSHRGAA

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

“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.