SCHEMBL1903516

SCHEMBL1903516

C=C(C)C(=O)NCCC(C)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.59
CHRNA4 P43681 11/20 0.59
CHRNB4 P30926 9/20 0.59
CHRNA3 P32297 7/20 0.42
ANPEP P15144 2/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 1/20 0.35
TGFBR1 P36897 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Fluoride SCHEMBL8583071 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3TGFBR1
SCHEMBL11283812 0.86 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28191169 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ANPEP
SCHEMBL6845595 0.82 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3ANPEP
SCHEMBL3169477 0.81 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4ANPEPRNPEP
SCHEMBL1147853 0.81 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3TGFBR1
SCHEMBL3235398 0.80 ANPEP (0.52) ANPEPRNPEPDNPEPTGFBR1RAB9A
SCHEMBL27851633 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4ANPEPRNPEP
SCHEMBL3736026 0.79 ANPEP (0.37) CHRNB2CHRNA4CHRNB4ANPEPRNPEP
SCHEMBL157717 0.79 ALDH1A1 (0.45) CHRNB2CHRNA4CHRNB4ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017012963-A1 POLYMERIZABLE FATTY ACID-DERIVATIVE-MONOMERS WITH TERMINAL OLEFINIC DOUBLE BONDS, POLYMERS CONTAINING SAME MONOMERS, PRODUCTION AND USE THEREOF BASF SE (DE) 2017-01-26 WO claimed
WO-2007126775-A2 COMPOSITIONS AND METHODS FOR MAKING AND USING ACYCLIC N-HALAMINE-BASED BIOCIDAL POLYMERIC MATERIALS AND ARTICLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-08 WO claimed
US-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-09-27 US claimed
EP-1490016-B1 CATIONIC POLYMERS AND THE USE THEREOF IN COSMETIC FORMULATIONS BASF AG (DE) 2007-06-06 EP claimed
US-20050084469-A1 Cationic polymers and the use thereof in cosmetic formulations BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 US claimed
EP-1490016-A1 CATIONIC POLYMERS AND THE USE THEREOF IN COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 EP claimed
WO-2003106522-A1 POLYOXYALKYLENE-SUBSTITUTED ALKYLENE DIAMINES AND THE USE THEREOF IN COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 2003-12-24 WO claimed
WO-2003080001-A1 CATIONIC POLYMERS AND THE USE THEREOF IN COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 2003-10-02 WO claimed
US-12100860-B2 Separator for electrochemical device and an electrochemical device comprising the same LG ENERGY SOLUTION, LTD. (KR) 2024-09-24 US disclosed
EP-4355798-A1 BIODEGRADABLE GRAFT POLYMERS BASF SE (DE) 2024-04-24 EP disclosed
CN-112640196-B Separator for electrochemical device and electrochemical device including the same 株式会社LG新能源 2024-02-09 CN disclosed
WO-2022263354-A1 BIODEGRADABLE GRAFT POLYMERS BASF SE (DE) 2022-12-22 WO disclosed
US-20220006156-A1 A SEPARATOR FOR ELECTROCHEMICAL DEVICE AND AN ELECTROCHEMICAL DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-01-06 US disclosed
EP-3916836-A1 SEPARATOR FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE COMPRISING SAME LG ENERGY SOLUTION, LTD. (KR) 2021-12-01 EP disclosed
EP-1000610-A1 Polymers for cosmetic formulations BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
EP-0998254-A2 USE OF POLYMERS CONTAINING POLYSILOXANE FOR COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-2000005274-A1 METHOD FOR PRODUCING POWDER-SHAPED CROSS-LINKED POLYMERIZATES BASF AKTIENGESELLSCHAFT (DE) 2000-02-03 WO disclosed
CN-1209991-A High molecular mass cationic copolymers BASF AG (DE) 1999-03-10 CN disclosed
WO-1999004750-A2 USE OF POLYMERS CONTAINING POLYSILOXANE FOR COSMETIC FORMULATIONS BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0893117-A2 Cationic copolymers of high molecular weight BASF AKTIENGESELLSCHAFT (DE) 1999-01-27 EP 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 (2 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-20070224161-A1 Compositions and methods for making and using acyclic N-halamine-based biocidal polymeric materials and articles NAAA, NIT2, AADAC CHRNB2 1967/4885CHRNA4 2206/4885CHRNB4 1934/4885
US-20050084469-A1 Cationic polymers and the use thereof in cosmetic formulations PARN, CUTA, PARG CHRNB2 4367/4885CHRNA4 4390/4885CHRNB4 4119/4885

“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.