SCHEMBL3074296

SCHEMBL3074296

COCCCN1CC(COC2CN(C(=O)OCc3ccccc3)CCC2c2ccc(OC3CCNC3)cc2)Oc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.36
REN P00797 10/20 0.35
P2RY12 Q9H244 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP30 Q70CQ3 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MMP9 P14780 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
ADAM9 Q13443 1/20 0.31

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
SCHEMBL3062642 0.88 PDE4B (0.38) PDE4BCYSLTR2CYSLTR1NPC1RAB9A
SCHEMBL3075362 0.88 CHRNB2 (0.40) PDE4BCYSLTR2CYSLTR1NPC1RAB9A
SCHEMBL3418125 0.83 REN (0.41) PDE4BREN
SCHEMBL3079434 0.82 PDE4B (0.34) PDE4BCYSLTR2CYSLTR1MMP9MMP1
SCHEMBL3087026 0.81 ALDH1A1 (0.40) PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL3079750 0.81 POLB (0.37) REN
SCHEMBL3074050 0.81 REN (0.40) PDE4BREN
SCHEMBL3070709 0.80 NAMPT (0.35) REN
SCHEMBL3084888 0.78 MKNK2 (0.35) PDE4B
SCHEMBL3061303 0.76 UTS2R (0.41) PDE4BREN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US 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 (1 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-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885REN 1/4885P2RY12 2972/4885

“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.