SCHEMBL6074497

SCHEMBL6074497

O=c1cc(-c2ccc(N3CCC4(CC3)OCCO4)cc2)[nH][nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 1/20 0.47
▸ MAPT P10636 10/20 0.44
▸ GAA P10253 6/20 0.44
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ THRB P10828 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.42
▸ PKM P14618 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ F12 P00748 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
SCHEMBL6074703 0.78 MAPT (0.50) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL10668904 0.74 PDE3B (0.49) MAPTTSHRLMNACYP2C9CYP2C19
SCHEMBL6132758 0.72 LGMN (0.52) LGMNKDM4EALDH1A1TSHRUSP2
SCHEMBL5546662 0.71 POLB (0.55) LGMNMAPTGAAKDM4EALDH1A1
SCHEMBL5539112 0.71 LGMN (0.54) LGMNMAPTGAAKDM4EALDH1A1
SCHEMBL1982163 0.71 LGMN (0.61) LGMNMAPTGAAKDM4EALDH1A1
SCHEMBL31380531 0.71 LGMN (0.54) LGMNMAPTGAAKDM4EALDH1A1
SCHEMBL974758 0.71 LGMN (0.54) LGMNMAPTKDM4EALDH1A1KMT2A
SCHEMBL14117662 0.71 LGMN (0.54) LGMNMAPTGAAKDM4EALDH1A1
SCHEMBL3795448 0.71 LGMN (0.54) LGMNMAPTKDM4EALDH1A1KMT2A

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 LGMN 4736/4885MAPT 565/4885GAA 1992/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LGMN 4736/4885MAPT 565/4885GAA 1992/4885

“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.

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