SCHEMBL4903652

SCHEMBL4903652

OCC[N+]12CCC(CC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CHKA P35790 1/20 0.31
SLC18A3 Q16572 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
Bromide SCHEMBL18954261 0.97 PTK2 (0.37) PTK2CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL4900924 0.78 PTK2 (0.48) PTK2
SCHEMBL4899113 0.77 TSHR (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4903990 0.77 CHRNA7 (0.38) CHRNA7BCHEACHECHKA
SCHEMBL7263081 0.77 CHRNA7 (0.38) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1666073 0.74 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12036494 0.74 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Bromide SCHEMBL7629729 0.74 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14651460 0.72 BCHE (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Water SCHEMBL8053367 0.72 CHRNA7 (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386484-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2018-10-17 EP disclosed
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-05-31 US disclosed
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-02-01 US disclosed
WO-2017099823-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2017-06-15 WO disclosed
WO-2017099823-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2017-06-15 WO disclosed
US-20150112051-A1 CONSTRUCTION OF CELL PENETRATING NUCLEIC ACIDS Panzner, Steffen 2015-04-23 US disclosed
US-8957191-B2 Nucleic acid comprising zwitterionic nucleotides STEFFEN PANZNER (DE) 2015-02-17 US disclosed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20110137019-A1 NUCLEIC ACID COMPRISING ZWITTERIONIC NUCLEOTIDES BIONTECH PROTEIN THERAPEUTICS GMBH (DE) 2011-06-09 US disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed
US-20070167408-A1 NOVEL ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEREOF ZENTARIS GMBH (DE) 2007-07-19 US disclosed
WO-2007071658-A2 ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2007-06-28 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-20070167408-A1 NOVEL ALKYL PHOSPHOLIPID DERIVATIVES WITH REDUCED CYTOTOXICITY AND USES THEREOF PHOSPHO1, PTDSS1, PTDSS2 PTK2 2081/4885CHRNA7 4836/4885CHRNB2 4862/4885
US-20110137019-A1 NUCLEIC ACID COMPRISING ZWITTERIONIC NUCLEOTIDES NSUN3, NCL, NUDT1 PTK2 4636/4885CHRNA7 2234/4885CHRNB2 3385/4885
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 PTK2 2670/4885CHRNA7 4162/4885CHRNB2 3362/4885
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 PTK2 2670/4885CHRNA7 4162/4885CHRNB2 3362/4885

“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.