SCHEMBL420320

SCHEMBL420320

CCCOC(=O)CCN1CCC(CCCC2CCN(CCC(=O)OCCC)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
DRD2 P14416 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD4 P21917 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR4 Q13639 6/20 0.39
ACHE P22303 5/20 0.39

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
SCHEMBL420355 0.94 HRH1 (0.47) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL10036917 0.93 HRH1 (0.45) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL13988123 0.93 SMN1; SMN2 (0.43) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL10036916 0.92 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL13670291 0.90 NAAA (0.45) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL13160777 0.90 HRH3 (0.44) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL15315851 0.90 HRH1 (0.44) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL13160749 0.90 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL13160756 0.90 SMN1; SMN2 (0.41) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL10015644 0.88 CHRM1 (0.45) CHRM1CHRM2CHRM4CHRM5DRD2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258738-A1 Multilayer Compositions, Coated Devices And Use Thereof DEPARTMENT OF DEFENSE 2017-09-14 US disclosed
US-9700627-B2 Biodegradable poly (beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-9700627-B2 Biodegradable poly (beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
US-20170181981-A1 BIODEGRADABLE FREE-STANDING CONTROLLED DRUG RELEASE STICKERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-06-29 US disclosed
US-20170181981-A1 BIODEGRADABLE FREE-STANDING CONTROLLED DRUG RELEASE STICKERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-06-29 US disclosed
US-9610252-B2 Multilayer compositions, coated devices and use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-04-04 US disclosed
US-9463244-B2 Compositions and methods for nucleic acid delivery MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-10-11 US disclosed
US-9393217-B2 Self assembled films for protein and drug delivery applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-19 US disclosed
US-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-28 US disclosed
US-9198875-B2 Controlled delivery of bioactive agents from decomposable films MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-12-01 US disclosed
US-8287849-B2 Biodegradable poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-16 US disclosed
US-RE43612-E1 Biodegradable poly(β-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-20120065358-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-15 US disclosed
US-20120027837-A1 MULTILAYER COATING COMPOSITIONS, COATED SUBSTRATES AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-02 US disclosed
US-7943179-B2 Drug delivery particle; useful in genetic vaccination; eg poly(beta-amino esters) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-17 US disclosed
US-20110059172-A1 THERAPEUTIC COMPOSITIONS TZIANABOS ARTHUR 2011-03-10 US disclosed
US-20100040674-A1 CONTROLLED DELIVERY OF BIOACTIVE AGENTS FROM DECOMPOSABLE FILMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-18 US disclosed
US-20100036084-A1 BIODEGRADABLE POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-11 US disclosed
US-20090258045-A1 STRUCTURES INCLUDING ANTIMICROBIAL PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-10-15 US disclosed
US-7427394-B2 Delivering labile agents; buffering effect; transfecting nucleic acids; nontoxic MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-09-23 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 (7 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-20120027837-A1 MULTILAYER COATING COMPOSITIONS, COATED SUBSTRATES AND METHODS THEREOF BDNF, IAPP, NGF CHRM1 975/4885CHRM2 984/4885CHRM4 1469/4885
US-20160022821-A1 BIODEGRADABLE POLY (BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, NPEPPS CHRM1 4451/4885CHRM2 4626/4885CHRM4 4795/4885
US-20090258045-A1 STRUCTURES INCLUDING ANTIMICROBIAL PEPTIDES NGLY1, VIP, PCBP1 CHRM1 4430/4885CHRM2 4713/4885CHRM4 4716/4885
US-20100040674-A1 CONTROLLED DELIVERY OF BIOACTIVE AGENTS FROM DECOMPOSABLE FILMS LIPA, ADAM9, TGFB1 CHRM1 3642/4885CHRM2 3431/4885CHRM4 3603/4885
US-20170258738-A1 Multilayer Compositions, Coated Devices And Use Thereof EPHA3, EPHA2, BDNF CHRM1 1197/4885CHRM2 609/4885CHRM4 743/4885
US-20110059172-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, ACP1, TUBB3 CHRM1 3744/4885CHRM2 3690/4885CHRM4 4434/4885
US-20170181981-A1 BIODEGRADABLE FREE-STANDING CONTROLLED DRUG RELEASE STICKERS PLOD3, CUTA, SLC6A2 CHRM1 2593/4885CHRM2 1370/4885CHRM4 1657/4885

“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.