SCHEMBL16353067

SCHEMBL16353067

C[N+](C)(C)CCOC(=O)CCCCC(=O)OCC[N+](C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.82
ADRA1A P35348 1/20 0.82
MAPT P10636 1/20 0.78
BLM P54132 1/20 0.78
CYP2C19 P33261 2/20 0.61
CHRM5 P08912 6/20 0.60
CHRM1 P11229 6/20 0.60
CHRM3 P20309 6/20 0.60
CHRM2 P08172 5/20 0.60
CHRM4 P08173 5/20 0.60
CHRNB2 P17787 4/20 0.60
CHRNA4 P43681 4/20 0.60
CHRNA7 P36544 3/20 0.60
HTR1A P08908 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PGR P06401 1/20 0.60
TBXA2R P21731 1/20 0.60
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA10 Q9GZZ6 1/20 0.60

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
SCHEMBL1984572 0.98 ADRA2A (0.78) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL8087675 0.98 ADRA2A (0.78) ADRA2AADRA1AMAPTBLMCYP2C19
Iodide SCHEMBL15378186 0.96 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
Iodide SCHEMBL1980845 0.96 ADRA2A (0.75) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL16353041 0.95 ADRA2A (0.82) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL25408257 0.92 ADRA2A (0.69) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL292302 0.92 DGKA (0.70) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL12560596 0.92 ADRA2A (0.69) ADRA2AADRA1AMAPTBLMCYP2C19
Suxamethonium SCHEMBL41537 0.90 ADRA2A (1.00) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL13419832 0.90 ADRA2A (0.67) ADRA2AADRA1AMAPTBLMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023174433-A1 SOLID, SEMISOLID, OR LIQUID COMPOSITIONS FOR AUGMENTING THE STABILITY, PERMEABILITY AND BIOAVAILABILITY OF ACTIVE PHARMACEUTICAL SUBSTANCES Smart Pharmaceutical (Suzhou) Co., Ltd. (CN) 2023-09-21 WO claimed
WO-2023174433-A1 SOLID, SEMISOLID, OR LIQUID COMPOSITIONS FOR AUGMENTING THE STABILITY, PERMEABILITY AND BIOAVAILABILITY OF ACTIVE PHARMACEUTICAL SUBSTANCES Smart Pharmaceutical (Suzhou) Co., Ltd. (CN) 2023-09-21 WO disclosed
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20220004101-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-06 US disclosed
US-20210033969-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20180143532-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-24 US disclosed
US-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 US disclosed
US-20140377706-A1 DEVELOPER FOR PHOTOSENSITIVE RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-25 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-20180086948-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING A BIO-ELECTRODE, AND SALT SLC9A1, FN1, EPCAM ADRA2A 3217/4885ADRA1A 1359/4885MAPT 3241/4885

“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.