SCHEMBL6074588

SCHEMBL6074588

O=Cc1ccc(N2CCC3(CC2)OCCO3)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A1 P00352 10/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 2/20 0.41
LGMN Q99538 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7164622 0.93 ALDH1A3 (0.48) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2GAA
SCHEMBL6074161 0.83 ALDH1A1 (0.64) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2GAA
SCHEMBL5179998 0.81 ALDH1A3 (0.69) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2GAA
SCHEMBL6074177 0.80 CISD1 (0.54) MEN1KMT2AHPGD
SCHEMBL6074172 0.80 CISD1 (0.54) MEN1KMT2AHPGD
SCHEMBL236991 0.77 ALDH1A3 (0.66) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2GAA
SCHEMBL7141451 0.77 ALDH1A1 (0.67) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1664589 0.76 TRIM24 (0.58) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2LGMN
SCHEMBL7247851 0.75 CISD1 (0.48) MEN1KMT2AHPGD
SCHEMBL3686459 0.75 ALDH1A1 (0.56) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A3 790/4885ALDH3A1 1169/4885ALDH1A1 1091/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A3 790/4885ALDH3A1 1169/4885ALDH1A1 1091/4885

“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.