SCHEMBL3080341

SCHEMBL3080341

CCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC)c(F)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
UTS2R Q9UKP6 1/20 0.39
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
TSHR P16473 2/20 0.37
CCR5 P51681 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EDNRB P24530 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
EDNRA P25101 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3067190 0.94 PDE4B (0.41) PDE4BUTS2RCHRM1CHRM2CHRM5
SCHEMBL3069812 0.84 UTS2R (0.43) PDE4BUTS2RCHRM1CHRM2CHRM5
SCHEMBL3071410 0.83 PDE4B (0.41) PDE4BCHRM1CHRM2CHRM5CHRM3
SCHEMBL3075980 0.83 UTS2R (0.42) PDE4BUTS2RCHRM1CHRM2CHRM5
SCHEMBL3077558 0.82 UTS2R (0.42) PDE4BUTS2RCHRM1CHRM2CHRM5
SCHEMBL3070243 0.82 UTS2R (0.43) PDE4BUTS2RCHRM1CHRM2CHRM5
SCHEMBL3072592 0.81 REN (0.41) PDE4BUTS2RCHRM1TSHRCYP3A4
SCHEMBL3083234 0.81 REN (0.48) TSHRCYP3A4
SCHEMBL3071485 0.81 UTS2R (0.40) PDE4BUTS2RCHRM1CHRM2CHRM5
SCHEMBL3066500 0.80 REN (0.48) TSHRCYP3A4

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 312/4885UTS2R 514/4885CHRM1 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.