SCHEMBL9945688

SCHEMBL9945688

CC(C)CCN(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.35
SLC29A1 Q99808 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL11028956 1.00 ALDH1A1 (0.46) ALDH1A1OPRM1OPRD1OPRK1MAPT
SCHEMBL9945707 0.91 ALDH1A1 (0.40) ALDH1A1OPRM1OPRD1OPRK1MAPT
SCHEMBL12039759 0.90 ALDH1A1 (0.43) ALDH1A1OPRM1OPRD1OPRK1MAPT
Trolamine SCHEMBL11794009 0.89 MAPT (0.43) ALDH1A1OPRM1OPRD1OPRK1MAPT
SCHEMBL13143549 0.87 CYP1A2 (0.47) ALDH1A1OPRM1OPRD1OPRK1MAPT
SCHEMBL472095 0.85 ALDH1A1 (0.43) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL11815318 0.84 ALDH1A1 (0.43) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL9945683 0.84 ALDH1A1 (0.38) ALDH1A1OPRM1OPRD1OPRK1MAPT
SCHEMBL10935340 0.83 CHRM2 (0.35) ALDH1A1OPRM1OPRD1OPRK1
Fluoride SCHEMBL23302253 0.82 ALDH1A1 (0.42) ALDH1A1OPRM1OPRD1OPRK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024098053-A1 POLYMER-NUCLEIC ACID NANOPARTICLES FOR GENE EDITING THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 WO disclosed
WO-2023212057-A1 COMPOSITIONS OF KINETIC NANOPARTICLES CONTAINING NUCLEIC ACIDS, POLYCATIONS AND LIPIDS THE JOHNS HOPKINS UNIVERSITY (US) 2023-11-02 WO disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11697804-B2 Transcriptionally targeted and CpG-free plasmid for theranostic gene therapy THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-11 US disclosed
WO-2023077150-A1 POLYMERS AND NANOPARTICLES FOR INTRAMUSCULAR NUCLEIC ACID DELIVERY THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-04 WO disclosed
US-20230002790-A1 POLY(Beta-AMINO ESTER) NANOPARTICLES FOR THE NON-VIRAL DELIVERY OF PLASMID DNA FOR GENE EDITING AND RETINAL GENE THERAPY THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-20220040331-A1 COMPOSITIONS AND METHODS FOR TRANSFECTING CELLS AMRYT RESEARCH LIMITED (IE) 2022-02-10 US disclosed
US-20210388196-A1 GENE DELIVERY CARRIER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
US-20210369867-A1 LIPID NANOPARTICLE FORMULATIONS COMPRISING LIPIDATED CATIONIC PEPTIDE COMPOUNDS FOR NUCLEIC ACID DELIVERY NUTCRACKER THERAPEUTICS, INC. (US) 2021-12-02 US disclosed
WO-2021030218-A1 LIPIDATED CATIONIC PEPTIDE-PEG COMPOSITIONS FOR NUCLEIC ACID DELIVERY NUTCRACKER THERAPEUTICS, INC. (US) 2021-02-18 WO disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (10 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-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL ALDH1A1 2664/4885OPRM1 1152/4885OPRD1 546/4885
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MTREX, EXOSC5, KPNA6 ALDH1A1 4262/4885OPRM1 3010/4885OPRD1 3748/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL ALDH1A1 2664/4885OPRM1 1152/4885OPRD1 546/4885
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 ALDH1A1 1422/4885OPRM1 603/4885OPRD1 1046/4885
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use HCAR1, HCAR2, PAICS ALDH1A1 102/4885OPRM1 657/4885OPRD1 1028/4885
US-20210388196-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 ALDH1A1 2765/4885OPRM1 2200/4885OPRD1 1973/4885
US-20210369867-A1 LIPID NANOPARTICLE FORMULATIONS COMPRISING LIPIDATED CATIONIC PEPTIDE COMPOUNDS FOR NUCLEIC ACID DELIVERY PHOSPHO1, PLIN3, CETP ALDH1A1 4840/4885OPRM1 4277/4885OPRD1 4508/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS ALDH1A1 102/4885OPRM1 657/4885OPRD1 1028/4885
US-11697804-B2 Transcriptionally targeted and CpG-free plasmid for theranostic gene therapy POLRMT, HDGF, PCNP ALDH1A1 3433/4885OPRM1 2803/4885OPRD1 2337/4885
US-20220040331-A1 COMPOSITIONS AND METHODS FOR TRANSFECTING CELLS TK1, XPA, RNASE1 ALDH1A1 3345/4885OPRM1 4335/4885OPRD1 4262/4885

“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.