SCHEMBL3071960

SCHEMBL3071960

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOc4cccc(C)c4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
UTS2R Q9UKP6 4/20 0.38
TP53 P04637 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
CHRM1 P11229 1/20 0.35
GAA P10253 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34

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
SCHEMBL3411234 0.94 REN (0.43) RENTSHRCYP3A4UTS2RPOLB
SCHEMBL3083196 0.94 REN (0.43) RENTSHRCYP3A4UTS2RMAPT
SCHEMBL3415361 0.93 UTS2R (0.44) RENTSHRCYP3A4UTS2RTP53
SCHEMBL3420321 0.93 REN (0.41) RENTSHRCYP3A4UTS2RPDE4B
SCHEMBL3087422 0.92 REN (0.40) RENTSHRCYP3A4UTS2RTP53
SCHEMBL3416949 0.92 REN (0.43) RENTSHRCYP3A4TP53POLB
SCHEMBL3078201 0.91 REN (0.42) RENTSHRCYP3A4UTS2RTP53
SCHEMBL3070229 0.91 REN (0.41) RENTSHRCYP3A4UTS2R
SCHEMBL3070839 0.91 REN (0.43) RENTSHRCYP3A4UTS2RPDE4B
SCHEMBL3077338 0.91 REN (0.40) RENTSHRCYP3A4UTS2RMAPT

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 1/4885TSHR 3211/4885CYP3A4 29/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885TSHR 3211/4885CYP3A4 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.