SCHEMBL9945707

SCHEMBL9945707

CCCN(CCO)CCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 4/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.32
SLC29A1 Q99808 1/20 0.31
MAPT P10636 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
SCHEMBL9945688 0.91 ALDH1A1 (0.46) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL11028956 0.91 ALDH1A1 (0.46) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL13652974 0.88 OPRM1 (0.37) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL12039787 0.88 OPRM1 (0.37) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL9945711 0.87 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL16281486 0.85 LMNA (0.34) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL20996669 0.84 CYP1A2 (0.33) CYP1A2CYP2C9CYP2D6CYP2C19NPSR1
SCHEMBL13143549 0.84 CYP1A2 (0.47) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL7933716 0.84 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL97470 0.83 MAPT (0.42) ALDH1A1CYP1A2CYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2023141576-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACIDS POSEIDA THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed
US-11701434-B2 Tertiary amino lipidated cationic peptides for nucleic acid delivery NUTCRACKER THERAPEUTICS, INC. (US) 2023-07-18 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
US-20220040331-A1 COMPOSITIONS AND METHODS FOR TRANSFECTING CELLS AMRYT RESEARCH LIMITED (IE) 2022-02-10 US disclosed
WO-2021081495-A1 POLYMERIC NANOPARTICLES FOR INTRACELLULAR PROTEIN DELIVERY THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-29 WO disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
US-9884118-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2018-02-06 US disclosed
US-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-25 US disclosed
US-9193827-B2 Poly(beta-amino alcohols), their preparation, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-24 US disclosed
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 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-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-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 ALDH1A1 1803/4885OPRM1 1587/4885OPRD1 4351/4885
US-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 ALDH1A1 883/4885OPRM1 4548/4885OPRD1 3324/4885
US-11701434-B2 Tertiary amino lipidated cationic peptides for nucleic acid delivery LNPEP, SLC7A1, APLNR ALDH1A1 4814/4885OPRM1 3592/4885OPRD1 3706/4885
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.