SCHEMBL5944501

SCHEMBL5944501

CC(C)OCC[N+](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA7 P36544 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
PGR P06401 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39

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
Hydrochloric Acid SCHEMBL28431629 0.97 SCN1A (0.43) SCN1ASCN2ASCN3ACHRM5CHRM1
Hydrochloric Acid SCHEMBL22409396 0.97 SCN1A (0.43) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL20464890 0.83 MEN1 (0.43) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL3686620 0.78 SCN1A (0.42) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL28761585 0.78 SCN1A (0.42) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL1149415 0.78 SCN1A (0.42) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL3696758 0.78 SCN1A (0.42) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL25725438 0.78 BBOX1 (0.35)
Hydrochloric Acid SCHEMBL9788455 0.76 SCN1A (0.41) SCN1ASCN2ASCN3ACHRM5CHRM1
SCHEMBL5944590 0.76 DNM1 (0.37) CHRNA7CHRNB4CHRNA3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240215890-A1 Bio-Electrode, Bio-Electrode Composition, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215891-A1 Bio-Electrode Composition, Bio-Electrode, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240209160-A1 POLYMERIC DISPERSANTS FROM PHENYL GLYCIDYL ETHER STEPAN COMPANY 2024-06-27 US disclosed
US-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
EP-3638256-B1 ANTIMICROBIAL COMPOUNDS AND NANOSTRUCTURES BOEING CO (US) 2023-11-22 EP disclosed
US-11783958-B2 Conductive wiring material composition, conductive wiring substrate and method for producing conductive wiring substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-10 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-8329927-B2 Water-soluble and water-insoluble, ring opening metathesis polymerization products, monomers and related methods UNIVERSITY OF MASSACHUSETTS (US) 2012-12-11 US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20090082524-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods UNIVERSITY OF MASSACHUSETTS (US) 2009-03-26 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US 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 (8 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 SCN1A 3994/4885SCN2A 3707/4885SCN3A 3442/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 SCN1A 3994/4885SCN2A 3707/4885SCN3A 3442/4885
US-20090082524-A1 Water-Soluble and Water-Insoluble, Ring Opening Metathesis Polymerization Products, Monomers and Related Methods CD14, MAGI3, NOD2 SCN1A 4651/4885SCN2A 4672/4885SCN3A 4594/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SCN1A 492/4885SCN2A 1916/4885SCN3A 1232/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 SCN1A 2159/4885SCN2A 2539/4885SCN3A 2557/4885
US-20240209160-A1 POLYMERIC DISPERSANTS FROM PHENYL GLYCIDYL ETHER TYR, PAOX, NAPEPLD SCN1A 4531/4885SCN2A 4524/4885SCN3A 4648/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 SCN1A 484/4885SCN2A 1901/4885SCN3A 1232/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SCN1A 510/4885SCN2A 1948/4885SCN3A 1271/4885

“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.