SCHEMBL99808

SCHEMBL99808

COc1cc(NC(=O)CCCc2ccc(NC(=O)O[C@H]3C[C@H]4[C@@H]5O[C@@H]5[C@H](C3)N4C)c(-c3ccccc3)c2)c(Cl)cc1CO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.55
CHRM2 P08172 4/20 0.55
CHRM1 P11229 4/20 0.55
ADRB2 P07550 7/20 0.43
CHEK1 O14757 1/20 0.38
CHRM4 P08173 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL99809 1.00 CHRM3 (0.55) CHRM3CHRM2CHRM1ADRB2CHEK1
SCHEMBL102608 0.95 CHRM3 (0.49) CHRM3CHRM2CHRM1ADRB2CHEK1
SCHEMBL102607 0.95 CHRM3 (0.49) CHRM3CHRM2CHRM1ADRB2CHEK1
SCHEMBL100662 0.92 CHRM3 (0.55) CHRM3CHRM2CHRM1ADRB2CHRM4
SCHEMBL100663 0.92 CHRM3 (0.55) CHRM3CHRM2CHRM1ADRB2CHRM4
SCHEMBL98861 0.91 CHRM3 (0.50) CHRM3CHRM2CHRM1ADRB2CHEK1
SCHEMBL102481 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1ADRB2CHRM4
SCHEMBL102482 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1ADRB2CHRM4
SCHEMBL99947 0.86 CHRM3 (0.45) CHRM3CHRM2CHRM1ADRB2CHEK1
SCHEMBL101237 0.85 CHRM3 (0.55) CHRM3CHRM2CHRM1ADRB2CHRM4

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
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed
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 9/4885CHRM2 15/4885CHRM1 25/4885

“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.