Choline

Choline

SCHEMBL3345299

C[N+](C)(C)CCO.O=C([O-])Cl

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

The experimentally established mechanism targets of Choline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP3A4 P08684 1/20 0.60
SLC5A7 Q9GZV3 1/20 0.60
GALR3 O60755 2/20 0.40
ACHE P22303 1/20 0.37
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
BBOX1 O75936 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
HTR1A P08908 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36

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
Choline SCHEMBL8816122 0.97 CYP3A4 (0.65) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL8816125 0.97 LMNA (0.57) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL119824 0.89 LMNA (0.67) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL6706932 0.87 MEN1 (0.57) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL540807 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL1686208 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL10630113 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL1686210 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL2222247 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL316506 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577583-A1 Process for preparing granular esters Akzo Nobel N.V. (NL) 1994-01-05 EP claimed
CN-118290484-A Amphiphilic platinum-based complex and preparation method and application thereof 中国药科大学 2024-07-05 CN disclosed
US-10570161-B2 Unique dual-action therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-25 US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US disclosed
WO-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 WO disclosed
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 EP disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 WO disclosed
WO-1997024157-A9 MOLECULES FOR IONTOPHORETIC DELIVERY 1997-09-25 WO disclosed
WO-1997024157-A1 MOLECULES FOR IONTOPHORETIC DELIVERY BECTON, DICKINSON AND COMPANY (US) 1997-07-10 WO disclosed
US-5494679-A Molecules for iontophoretic delivery BECTON DICKINSON AND COMPANY (US) 1996-02-27 US disclosed
EP-0284132-B1 Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions UNILEVER NV (NL) 1994-01-12 EP disclosed
EP-0552878-A2 Molecules for iontophoretic delivery Becton, Dickinson and Company (US) 1993-07-28 EP disclosed
EP-0490417-A1 Bleach-builder precursors UNILEVER N.V. (NL) 1992-06-17 EP disclosed
US-5069812-A DERIVATIVES OF 2,6-DICARBOXY-4-OXY-PYRIDINES LEVER BROTHERS COMPANY (US) 1991-12-03 US disclosed
US-4818426-A COLOR SAFE, USABLE IN COLD WATER LEVER BROTHERS COMPANY (US) 1989-04-04 US disclosed
EP-0284132-A2 Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions UNILEVER N.V. (NL) 1988-09-28 EP disclosed
US-4751015-A LOW TEMPERATURE BLEACH LEVER BROTHERS COMPANY (US) 1988-06-14 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 (3 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-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS ACHE, PDE1A, PDE1C LMNA 1179/4885MEN1 4406/4885KMT2A 3403/4885
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 LMNA 2290/4885MEN1 1608/4885KMT2A 678/4885
US-10570161-B2 Unique dual-action therapeutics ACHE, PDE1A, PDE1C LMNA 1380/4885MEN1 4345/4885KMT2A 3429/4885

“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.