SCHEMBL3076630

SCHEMBL3076630

COCCCNC(=O)c1cccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCOCc3ccccc3OC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.47
PDE4B Q07343 1/20 0.41
CHRM4 P08173 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3076931 0.97 REN (0.48) RENPDE4BCHRM4NPC1RAB9A
SCHEMBL3059847 0.92 REN (0.49) RENCHRM4NPC1RAB9ASMN1; SMN2
SCHEMBL3080067 0.91 REN (0.49) RENPDE4B
SCHEMBL3077647 0.91 REN (0.48) RENPDE4B
SCHEMBL3077432 0.90 REN (0.50) RENPDE4B
SCHEMBL3084496 0.90 REN (0.49) RENPDE4B
SCHEMBL3081342 0.88 REN (0.50) RENCHRM4NPC1RAB9ASMN1; SMN2
SCHEMBL3076625 0.88 REN (0.46) RENPDE4B
SCHEMBL3075902 0.88 REN (0.49) RENPDE4B
SCHEMBL3064938 0.87 REN (0.49) RENPDE4B

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 1/4885PDE4B 312/4885CHRM4 2273/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885PDE4B 312/4885CHRM4 2273/4885

“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.