SCHEMBL8945377

SCHEMBL8945377

C[N+](C)(C)CCCOC(=O)OCCC[N+](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.50
CHRM1 P11229 6/20 0.50
CHRM3 P20309 6/20 0.50
CHRM2 P08172 5/20 0.50
CHRM4 P08173 5/20 0.50
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNA7 P36544 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
PGR P06401 1/20 0.50
TBXA2R P21731 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
LMNA P02545 3/20 0.48
CYP2C19 P33261 2/20 0.48

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
SCHEMBL16247238 0.88 RAD52 (0.58) ACHERAD52NPSR1
SCHEMBL119825 0.84 CHRM1 (0.68) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10059085 0.83 CHRM5 (0.74) CHRM5CHRM1CHRM3CHRM2CHRM4
Iodide SCHEMBL8815346 0.82 CHRM1 (0.65) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL8945372 0.81 CHRM5 (0.47) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL22687659 0.81 CHRM5 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL19169943 0.81 CHRM5 (0.46) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9298334 0.81 RAD52 (0.59) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL12560604 0.79 ADRA2A (0.83) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL13988530 0.79 NAAA (0.57) CHRM5CHRM1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015184326-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-12-03 WO disclosed
WO-2015057847-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-04-23 WO disclosed
EP-2817345-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS Cerulean Pharma Inc. (US) 2014-12-31 EP disclosed
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC (US) 2014-02-06 US disclosed
WO-2013126564-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2013-08-29 WO disclosed
US-5489663-A TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 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-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 CHRM5 4717/4885CHRM1 4810/4885CHRM3 4516/4885

“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.