SCHEMBL661597

SCHEMBL661597

COc1cc(NC(=O)CCCc2ccc(-c3ccccc3)c(NC(=O)OC3CC4C5OC5C(C3)N4C)c2)ccc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.46
CHRM1 P11229 4/20 0.46
CHRM2 P08172 2/20 0.46
ADRB2 P07550 7/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM4 P08173 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP1A2 P05177 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 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
SCHEMBL100649 1.00 CHRM3 (0.46) CHRM3CHRM1CHRM2ADRB2NPC1
SCHEMBL100319 0.92 CHRM3 (0.50) CHRM3CHRM1CHRM2CHRM4TSHR
SCHEMBL100318 0.92 CHRM3 (0.50) CHRM3CHRM1CHRM2CHRM4TSHR
SCHEMBL99947 0.91 CHRM3 (0.45) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL664155 0.91 CHRM3 (0.46) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL101446 0.91 CHRM3 (0.46) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL99558 0.90 CHRM3 (0.51) CHRM3CHRM1CHRM2ADRB2NPC1
SCHEMBL99559 0.90 CHRM3 (0.51) CHRM3CHRM1CHRM2ADRB2NPC1
SCHEMBL131865 0.90 CHRM3 (0.47) CHRM3CHRM1CHRM2CHRM4TSHR
SCHEMBL98456 0.90 CHRM3 (0.47) CHRM3CHRM1CHRM2CHRM4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US claimed

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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CHRM3 9/4885CHRM1 25/4885CHRM2 15/4885

“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.