SCHEMBL1127933

SCHEMBL1127933

CN1CCN(CCCC(=O)[O-])CC1.[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.45
PAOX Q6QHF9 1/20 0.56
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
HTR7 P34969 2/20 0.41
BBOX1 O75936 3/20 0.39
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.37

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
Zinc Ion SCHEMBL8194850 0.83 PAOX (0.50) PAOXTSHRCA1CYP1A2ALDH1A1
SCHEMBL2424924 0.82 CYP1A2 (0.64) CA1SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL11715757 0.80 PAOX (0.56) PAOXTSHRSMN1; SMN2CYP1A2MAPK1
SCHEMBL4681280 0.79 SMN1; SMN2 (0.67) PAOXTSHRSMN1; SMN2CYP1A2MAPK1
SCHEMBL2091283 0.79 PAOX (0.60) PAOXTSHRCA1SMN1; SMN2CYP1A2
SCHEMBL11523231 0.79 PAOX (0.85) PAOXTSHRSMN1; SMN2CYP1A2MAPK1
SCHEMBL6956288 0.79 PAOX (0.60) PAOXTSHRSMN1; SMN2CYP1A2MAPK1
Hydrochloric Acid SCHEMBL1128155 0.78 SMN1; SMN2 (0.64) PAOXTSHRSMN1; SMN2CYP1A2MAPK1
Hydrochloric Acid SCHEMBL1127753 0.78 SMN1; SMN2 (0.64) PAOXTSHRSMN1; SMN2CYP1A2MAPK1
Hydrochloric Acid SCHEMBL7427001 0.78 PAOX (0.58) PAOXTSHRSMN1; SMN2CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104622809-B The drug of modification for elaioplast nanometer particle 英属哥伦比亚大学 2019-04-19 CN disclosed
EP-3415151-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES The University of British Columbia (CA) 2018-12-19 EP disclosed
EP-2282724-B1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-09-05 EP disclosed
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
CN-102105135-B Modified drugs for liposomal nanoparticles 英属哥伦比亚大学 2016-08-24 CN disclosed
CN-104622809-A Modified drugs for use in liposomal nanoparticles UNIV BRITISH COLUMBIA 2015-05-20 CN disclosed
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-12-04 US disclosed
US-8790691-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-29 US disclosed
US-8568772-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-29 US disclosed
US-8545876-B1 Modified drugs for use in liposomal nanoparticles UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-01 US disclosed
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-12 US disclosed
US-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-8324410-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-12-04 US disclosed
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 US disclosed
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-07-07 US disclosed
CN-102105135-A Modified drugs for liposomal nanoparticles UNIV BRITISH COLUMBIA 2011-06-22 CN disclosed
EP-2282724-A2 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES The University Of British Columbia (CA) 2011-02-16 EP disclosed
WO-2009141738-A2 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-11-26 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 (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-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CA1 2294/4885PAOX 2515/4885TSHR 3093/4885
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles ABCB11, SLC47A1, ABCB1 CA1 3481/4885PAOX 2984/4885TSHR 2672/4885
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CA1 2294/4885PAOX 2515/4885TSHR 3093/4885
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CA1 2294/4885PAOX 2515/4885TSHR 3093/4885
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 CA1 2294/4885PAOX 2515/4885TSHR 3093/4885
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 CA1 3481/4885PAOX 2984/4885TSHR 2672/4885
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 CA1 3481/4885PAOX 2984/4885TSHR 2672/4885

“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.