SCHEMBL3075362

SCHEMBL3075362

COCCCN1CC(COC2CN(C(=O)OCc3ccccc3)CCC2c2ccc(COc3ccccc3)cc2)Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
PDE4B Q07343 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KCNH2 Q12809 1/20 0.35
PTGIR P43119 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
SCHEMBL3062642 0.94 PDE4B (0.38) CHRNB2CHRNA5CHRNA7CHRNA4CYSLTR2
SCHEMBL3074296 0.88 PDE4B (0.36) CHRNB2CHRNA5CHRNA7CHRNA4CYSLTR2
SCHEMBL3087026 0.86 ALDH1A1 (0.40) PDE4BALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL3084888 0.84 MKNK2 (0.35) PDE4BKDM1APTGIR
SCHEMBL3072664 0.82 GRM5 (0.40) CHRNB2CHRNA5CHRNA7CHRNA4PDE4B
SCHEMBL3079434 0.81 PDE4B (0.34) CYSLTR2CYSLTR1PDE4BKDM1AMAOA
SCHEMBL3072342 0.81 CHRNB2 (0.39) CHRNB2CHRNA5CHRNA7CHRNA4PDE4B
SCHEMBL3060248 0.81 REN (0.41) CYSLTR2CYSLTR1
SCHEMBL3065913 0.77 MAOB (0.38) CHRNB2CHRNA5CHRNA7CHRNA4PDE4B
SCHEMBL3070416 0.77 PDE4B (0.37) CHRNB2CHRNA5CHRNA7CHRNA4PDE4B

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 CHRNB2 3971/4885CHRNA5 3951/4885CHRNA7 4153/4885

“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.