SCHEMBL4058948

SCHEMBL4058948

CCCCCCC[n+]1cc[nH]c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
CHRM1 P11229 2/20 0.52
ACHE P22303 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
ABCB11 O95342 1/20 0.52
ESR1 P03372 1/20 0.52
PGR P06401 1/20 0.52
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
PTGS1 P23219 1/20 0.52
PDE4A P27815 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL29914959 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL3723655 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL345304 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5295356 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5300351 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5299619 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL4226778 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5297852 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5301397 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL2944932 1.00 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602307-B1 LUBRICANT COMPOSITION WITH RUST INHIBITING PROPERTIES AND WITH AN IONIC LIQUID AS THE BASE OIL KYODO YUSHI (JP) 2017-05-10 EP claimed
EP-2602307-A1 LUBRICANT COMPOSITION WITH EXCELLENT RUST INHIBITING PROPERTIES AND WITH AN IONIC LIQUID AS A BASE OIL Kyodo Yushi Co., Ltd. (JP) 2013-06-12 EP claimed
US-20130137615-A1 LUBRICANT COMPOSITION USING IONIC LIQUID AS BASE OIL AND HAVING EXCELLENT RUST PREVENTION PROPERTIES KYODO YUSHI CO., LTD. (JP) 2013-05-30 US claimed
US-20230174561-A1 IONIC COMPOUND AND COMPOSITION THEREOF FOR HYDROPHOBIC PROTEIN EXTRACTION; AND ANTI-NONSPECIFIC PROTEIN ADSORPTION ZWITTERIONIC COMPOUND AND ELEMENT WITH ANTI-NONSPECIFIC PROTEIN ADSORPTION LAYER COMPRISING THE SAME YANQIN HOLDING COMPANY (TW) 2023-06-08 US disclosed
US-20230174561-A1 IONIC COMPOUND AND COMPOSITION THEREOF FOR HYDROPHOBIC PROTEIN EXTRACTION; AND ANTI-NONSPECIFIC PROTEIN ADSORPTION ZWITTERIONIC COMPOUND AND ELEMENT WITH ANTI-NONSPECIFIC PROTEIN ADSORPTION LAYER COMPRISING THE SAME YANQIN HOLDING COMPANY (TW) 2023-06-08 US disclosed
EP-2602307-B1 LUBRICANT COMPOSITION WITH RUST INHIBITING PROPERTIES AND WITH AN IONIC LIQUID AS THE BASE OIL KYODO YUSHI (JP) 2017-05-10 EP disclosed
US-9012381-B2 Lubricant composition using ionic liquid as a base oil and having excellent rust prevention properties KYODO YUSHI CO., LTD. (JP) 2015-04-21 US disclosed
EP-2731955-A1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS Merck Patent GmbH (DE) 2014-05-21 EP disclosed
EP-2731954-A1 COMPOUNDS CONTAINING ALKYL-ALKOXY-CYANO-BORATE ANIONS Merck Patent GmbH (DE) 2014-05-21 EP disclosed
EP-2602307-A1 LUBRICANT COMPOSITION WITH EXCELLENT RUST INHIBITING PROPERTIES AND WITH AN IONIC LIQUID AS A BASE OIL Kyodo Yushi Co., Ltd. (JP) 2013-06-12 EP disclosed
US-20130137615-A1 LUBRICANT COMPOSITION USING IONIC LIQUID AS BASE OIL AND HAVING EXCELLENT RUST PREVENTION PROPERTIES KYODO YUSHI CO., LTD. (JP) 2013-05-30 US disclosed
WO-2013010641-A1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2013-01-24 WO disclosed
WO-2013010640-A1 COMPOUNDS CONTAINING ALKYL-ALKOXY-CYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2013-01-24 WO disclosed
WO-2012163489-A1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 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 (1 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-20230174561-A1 IONIC COMPOUND AND COMPOSITION THEREOF FOR HYDROPHOBIC PROTEIN EXTRACTION; AND ANTI-NONSPECIFIC PROTEIN ADSORPTION ZWITTERIONIC COMPOUND AND ELEMENT WITH ANTI-NONSPECIFIC PROTEIN ADSORPTION LAYER COMPRISING THE SAME FABP1, EBPL, FABP7 CHRM2 2538/4885ADRA2A 4570/4885ADORA3 4021/4885

“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.