SCHEMBL6074426

SCHEMBL6074426

OCc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.50
CHKA P35790 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F12 P00748 1/20 0.40
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
MAPK8 P45983 3/20 0.38
MAPK10 P53779 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6680323 0.83 LGMN (0.54) LGMNL3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL6073828 0.83 LGMN (0.47) LGMNL3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL23387256 0.81 ITGB3 (0.56) LGMNL3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL5539112 0.81 LGMN (0.54) LGMNL3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL4938700 0.80 HRH3 (0.56) LGMNL3MBTL1L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL1716021 0.78 CHKA (0.56) LGMNCHKAL3MBTL1ALDH1A1MEN1
SCHEMBL20347010 0.78 LGMN (0.48) LGMNCHKAL3MBTL1L3MBTL3F12
SCHEMBL23254619 0.77 CHKA (0.51) CHKAL3MBTL3ALDH1A1MEN1KMT2A
SCHEMBL1982163 0.77 LGMN (0.61) LGMNL3MBTL1L3MBTL3ALDH1A1MEN1
SCHEMBL5546662 0.77 POLB (0.55) LGMNALDH1A1KMT2ASMN1; SMN2HSD17B10

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 4 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
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

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 LGMN 4736/4885CHKA 382/4885L3MBTL1 3557/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LGMN 4736/4885CHKA 382/4885L3MBTL1 3557/4885

“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.