SCHEMBL3083569

SCHEMBL3083569

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
CYP3A4 P08684 3/20 0.42
CHRM1 P11229 1/20 0.41
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
ALOX15 P16050 1/20 0.38
MET P08581 1/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36

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
SCHEMBL3071036 0.95 REN (0.46) RENCYP3A4CHRM1MAPTTSHR
SCHEMBL3416949 0.94 REN (0.43) RENCYP3A4CHRM1MAPTPOLB
SCHEMBL3072633 0.94 REN (0.43) RENCYP3A4CHRM1HRH3ALOX15
SCHEMBL3073158 0.94 REN (0.43) RENCYP3A4CHRM1MAPTMET
SCHEMBL3080390 0.92 REN (0.41) RENCYP3A4CHRM1MAPTTSHR
SCHEMBL3411234 0.92 REN (0.43) RENCYP3A4CHRM1MAPTSMN1; SMN2
SCHEMBL3077890 0.92 REN (0.48) RENCYP3A4CHRM1MAPTTSHR
SCHEMBL3060432 0.91 REN (0.44) RENCYP3A4HRH3ALOX15TSHR
SCHEMBL3083380 0.91 REN (0.43) RENCYP3A4MAPTPOLBTSHR
SCHEMBL3072557 0.91 REN (0.42) RENCYP3A4CHRM1MAPTSMN1; SMN2

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 5 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

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 29/4885CHRM1 1675/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885CHRM1 1675/4885

“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.