SCHEMBL3084943

SCHEMBL3084943

COCCCN1C(=O)CCc2ccc(COC3CN(C(=O)O)CCC3c3ccc(OCCCCOc4c(OC)cccc4OC)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.44
CYP3A4 P08684 2/20 0.44
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3080369 0.99 REN (0.46) RENCYP3A4CHRM1DRD2DRD4
SCHEMBL3082440 0.96 REN (0.43) RENCYP3A4CHRM1DRD2DRD4
SCHEMBL3078793 0.95 REN (0.44) RENCYP3A4CHRM1DRD2DRD4
SCHEMBL3064999 0.94 REN (0.46) RENCYP3A4CHRM1DRD2DRD4
SCHEMBL3259416 0.92 REN (0.42) RENCYP3A4CHRM1DRD2DRD4
SCHEMBL3073886 0.91 REN (0.43) RENCYP3A4CHRM1
SCHEMBL3418652 0.91 REN (0.43) RENCYP3A4CHRM1DRD2DRD4
SCHEMBL3205328 0.91 REN (0.40) RENCYP3A4CHRM1
SCHEMBL3072930 0.90 REN (0.56) RENCYP3A4
SCHEMBL3415061 0.90 REN (0.45) RENCYP3A4CHRM1

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.