SCHEMBL9182123

SCHEMBL9182123

C[N+](C)(C)CCOc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.67
CHRNA3 P32297 3/20 0.67
CHRNA7 P36544 3/20 0.67
CHRNB2 P17787 3/20 0.67
CHRNA4 P43681 3/20 0.67
CHRNA10 Q9GZZ6 1/20 0.67
CHRNA9 Q9UGM1 1/20 0.67
KCNA3 P22001 1/20 0.61
ESR1 P03372 3/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
ADRB2 P07550 1/20 0.59
CHRM2 P08172 1/20 0.59
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59

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
Phosphoric Acid SCHEMBL8154892 0.88 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27474976 0.86 CHRNB4 (0.53) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28604995 0.86 CHRNB4 (0.53) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Phosphoric Acid SCHEMBL8154895 0.85 CHRNB4 (0.53) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL9186723 0.83 CHRNA7 (0.58) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL13385235 0.80 CHRNA7 (1.00) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL22855771 0.80 ALDH1A1 (0.59) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
Bephenium SCHEMBL44590 0.80 CHRM2 (0.58) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL9182298 0.80 CHRNB4 (0.48) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL27962 0.79 KCNA3 (0.82) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549773-B1 ETHER-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK CO (US) 1995-07-05 EP claimed
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-20240215890-A1 Bio-Electrode, Bio-Electrode Composition, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
WO-2024072904-A2 PURIFICATION OF NUCLEOTIDES MODERNATX, INC. (US) 2024-04-04 WO disclosed
EP-4309582-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-24 EP 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
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
EP-3984456-B1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, POLYMER COMPOUND, AND COMPOSITE SHINETSU CHEMICAL CO (JP) 2023-08-23 EP disclosed
US-11733608-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-22 US disclosed
EP-2751079-A1 BIPHENYLCARBOXAMIDES AS ROCK KINASE INHIBITORS Amakem NV (BE) 2014-07-09 EP disclosed
US-20140187555-A1 NOVEL SOFT PDE4 INHIBITORS AMAKEM NV (BE) 2014-07-03 US disclosed
EP-2742025-A1 NOVEL SOFT PDE4 INHIBITORS Amakem NV (BE) 2014-06-18 EP disclosed
WO-2014068035-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2014-05-08 WO disclosed
WO-2013030366-A1 NOVEL SOFT ROCK INHIBITORS AMAKEM NV (BE) 2013-03-07 WO disclosed
WO-2013030365-A1 NOVEL ROCK KINASE INHIBITORS AMAKEM NV (BE) 2013-03-07 WO disclosed
WO-2013030367-A1 BIPHENYLCARBOXAMIDES AS ROCK KINASE INHIBITORS AMAKEM NV (BE) 2013-03-07 WO disclosed
WO-2013021021-A1 NOVEL SOFT PDE4 INHIBITORS AMAKEM NV (BE) 2013-02-14 WO disclosed
US-20080118970-A1 Methods of adenovirus purification KONZ JOHN O JR 2008-05-22 US disclosed
US-7326555-B2 Using domiphen bromide to selectively precipitate viral particles from DNA mixtures; ion echange chromatography MERCK & CO., INC. (US) 2008-02-05 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 (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-11733608-B2 Resist composition and patterning process HNRNPU, INSR, BICRA CHRNB4 1527/4885CHRNA3 2820/4885CHRNA7 2834/4885
US-20140187555-A1 NOVEL SOFT PDE4 INHIBITORS PDE4A, PDE4B, PDE12 CHRNB4 1841/4885CHRNA3 2857/4885CHRNA7 3748/4885

“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.