SCHEMBL290569

SCHEMBL290569

CCC(=O)OCC[N+](C)(C)C.C[N+](C)(C)CCS

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.57
ADRA1A P35348 1/20 0.57
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
CYP2C19 P33261 2/20 0.53
CHRM1 P11229 7/20 0.52
CHRM3 P20309 7/20 0.52
CHRM5 P08912 6/20 0.52
CHRM2 P08172 6/20 0.52
CHRM4 P08173 6/20 0.52
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA7 P36544 3/20 0.52
HTR1A P08908 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PGR P06401 1/20 0.52
TBXA2R P21731 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.52

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
SCHEMBL2303835 0.89 ADRA2A (0.70) ADRA2AADRA1AMAPTBLMCYP2C19
Hydrochloric Acid SCHEMBL3430810 0.87 MAPT (0.71) ADRA2AADRA1AMAPTBLMCYP2C19
Hydrochloric Acid SCHEMBL19025644 0.87 ADRA2A (0.67) ADRA2AADRA1AMAPTBLMCYP2C19
Bromide SCHEMBL21643594 0.87 ADRA2A (0.67) ADRA2AADRA1AMAPTBLMCYP2C19
Iodide SCHEMBL11128066 0.87 ADRA2A (0.67) ADRA2AADRA1AMAPTBLMCYP2C19
Propionic Acid SCHEMBL23044698 0.83 ADRA2A (0.61) ADRA2AADRA1AMAPTBLMCYP2C19
Acetylcholine SCHEMBL28671890 0.82 CHRM1 (0.79) ADRA2AADRA1AMAPTBLMCYP2C19
Propionic Acid SCHEMBL19617436 0.82 ADRA2A (0.59) ADRA2AADRA1AMAPTBLMCYP2C19
Choline SCHEMBL31574099 0.82 ADRA2A (0.59) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL13988530 0.79 NAAA (0.57) 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
US-20210023009-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY BEN GURION UNIV OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2021-01-28 US disclosed
US-10842747-B2 Nano-sized particles comprising multi-headed amphiphiles for targeted drug delivery Ben-Gurion University of Negev R & D (IL) 2020-11-24 US disclosed
EP-3539535-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY Ben-Gurion University of The Negev Research and Development Authority (IL) 2019-09-18 EP disclosed
EP-2427175-B1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY BEN GURION UNIV OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2018-08-29 EP disclosed
US-20170367980-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY C/O BEN-GURION UNIV OF THE NEGEV R & D (IL) 2017-12-28 US disclosed
US-9642803-B2 Nano-sized particles comprising multi-headed amphiphiles for targeted drug delivery BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2017-05-09 US disclosed
US-20120164072-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2012-06-28 US disclosed
EP-2427175-A2 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY Ben-gurion University Of The Negev Research And Development Authority (IL) 2012-03-14 EP disclosed
WO-2010128504-A2 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2010-11-11 WO 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 (4 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-20170367980-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY TSPO, ANXA6, ANXA11 ADRA2A 3824/4885ADRA1A 2705/4885MAPT 1081/4885
US-20120164072-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY TSPO, ANXA6, ANXA11 ADRA2A 3824/4885ADRA1A 2705/4885MAPT 1081/4885
US-20210023009-A1 NANO-SIZED PARTICLES COMPRISING MULTI-HEADED AMPHIPHILES FOR TARGETED DRUG DELIVERY TSPO, ANXA6, ANXA11 ADRA2A 3824/4885ADRA1A 2705/4885MAPT 1081/4885
US-10842747-B2 Nano-sized particles comprising multi-headed amphiphiles for targeted drug delivery TSPO, ANXA6, ANXA11 ADRA2A 3824/4885ADRA1A 2705/4885MAPT 1081/4885

“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.