SCHEMBL6074112

SCHEMBL6074112

O=C(Nc1ccc(N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.51
ADRB1 P08588 3/20 0.51
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.45
ADRB2 P07550 2/20 0.44
TLR4 O00206 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1E P28566 1/20 0.43

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
SCHEMBL6074805 0.88 ADRB3 (0.65) ADRB3ADRB1MAPTALDH1A1NPC1
SCHEMBL6074401 0.87 ADRB3 (0.53) ADRB3ADRB1MAPTSMN1; SMN2HTT
SCHEMBL2992193 0.86 ADRB3 (0.57) ADRB3ADRB1ADRB2TLR4LMNA
SCHEMBL6074328 0.82 ADRB3 (0.60) ADRB3ADRB1ADRB2TLR4
SCHEMBL6074669 0.78 ADRB3 (0.61) ADRB3ADRB1ADRB2TLR4POLB
SCHEMBL6074211 0.77 ADRB3 (0.54) ADRB3ADRB1MAPTADRB2TLR4
SCHEMBL4607271 0.76 ADRB3 (0.45) ADRB3ADRB1MAPTADRB2TLR4
SCHEMBL5257329 0.75 ADRB3 (0.66) ADRB3ADRB1MAPTADRB2TLR4
SCHEMBL6074152 0.75 ADRB3 (0.75) ADRB3ADRB1MAPTADRB2TLR4
SCHEMBL7160947 0.75 ADRB3 (0.72) ADRB3ADRB1MAPTADRB2TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US claimed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP claimed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US claimed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
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 ADRB3 2/4885ADRB1 1/4885MAPT 565/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885MAPT 565/4885

“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.