SCHEMBL9290358

SCHEMBL9290358

CC(C)(C)OC(=O)NC(C(=O)OC1CC2CCC(C1)[N+]2(C)CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
CHRM2 P08172 5/20 0.45
CHRM1 P11229 3/20 0.45
PABPC1 P11940 2/20 0.45
BLM P54132 1/20 0.45
CYP2C19 P33261 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CHRM5 P08912 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM3 P20309 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40

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
Bromide SCHEMBL17667733 0.99 CHRNA7 (0.47) CHRNA7CHRM2CHRM1PABPC1BLM
Bromide SCHEMBL8509379 0.99 CHRNA7 (0.47) CHRNA7CHRM2CHRM1PABPC1BLM
Bromide SCHEMBL17667731 0.99 CHRNA7 (0.47) CHRNA7CHRM2CHRM1PABPC1BLM
SCHEMBL9290260 0.86 CHRM2 (0.61) CHRM2CHRM1PABPC1BLMCYP2C19
Iodide SCHEMBL8509292 0.85 PABPC1 (0.63) CHRM2CHRM1PABPC1BLMCYP2C19
SCHEMBL8513388 0.83 CTSS (0.44) CHRM2CHRM1BLMCYP2C19CTSS
Bromide SCHEMBL8509268 0.83 CTSS (0.43) CHRM2CHRM1BLMCYP2C19CTSS
SCHEMBL17677464 0.80 CHRNA7 (0.45) CHRNA7CHRM2CHRM1BLMCTSS
Phenactropinium SCHEMBL29387827 0.80 CHRM2 (0.70) CHRNA7CHRM2CHRM1PABPC1BLM
Phenactropinium SCHEMBL8916468 0.80 CHRM2 (0.70) CHRNA7CHRM2CHRM1PABPC1BLM

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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CHRNA7 48/4885CHRM2 4/4885CHRM1 10/4885

“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.