SCHEMBL2904854

SCHEMBL2904854

COc1ccccc1CBr.[MgH2]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CHRM2 P08172 4/20 0.53
CHRM1 P11229 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SIGMAR1 Q99720 1/20 0.48
AOC3 Q16853 1/20 0.48
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47

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
SCHEMBL17804 0.98 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL29377714 0.98 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL11031727 0.95 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL20913236 0.84 TAAR1 (0.64) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL1279269 0.84 TAAR1 (0.64) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL29447946 0.84 TAAR1 (0.64) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL18725306 0.83 ABCB1 (0.48) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL29783095 0.81 HTR2A (0.48) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL489913 0.81 HTR2A (0.48) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL28854332 0.81 HTR7 (0.49) IDO1TAAR1CHRM2CHRM1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184703-A Synthesis method of alpha-substituted chiral phosphonate compound 中国人民解放军军事科学院防化研究院 2024-06-14 CN disclosed
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
EP-1682523-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-07-26 EP disclosed
WO-2005047272-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-05-26 WO 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-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 IDO1 323/4885TAAR1 18/4885CHRM2 96/4885

“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.