SCHEMBL6074839

SCHEMBL6074839

O=C1CCN(c2ccc(CC3NC(=O)NC3=O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 13/20 0.47
ADAMTS4 O75173 2/20 0.45
ADAM17 P78536 2/20 0.39
ADAM10 O14672 1/20 0.39
MMP12 P39900 1/20 0.39
ADAM9 Q13443 1/20 0.39
MMP2 P08253 1/20 0.37
HDAC8 Q9BY41 2/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CXCR4 P61073 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
SCHEMBL6074494 0.81 ADAMTS5 (0.43) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL6074524 0.74 MAPT (0.57) HRH3
SCHEMBL6704329 0.74 PPARG (0.44) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL5062730 0.72 CXCR4 (0.42) ADAMTS5ADAMTS4MMP2HDAC8CXCR4
SCHEMBL28722955 0.72 CXCR4 (0.53) HDAC8CXCR4
SCHEMBL8402315 0.72 GAA (0.42) MMP2HDAC8CXCR4
SCHEMBL3156973 0.72 MAPT (0.50) HDAC8CXCR4
SCHEMBL1012031 0.72 CXCR4 (0.53) HDAC8CXCR4
SCHEMBL5306952 0.72 CXCR4 (0.42) HDAC8HRH3CXCR4
SCHEMBL5182408 0.72 THRA (0.43) ADAMTS5ADAMTS4HDAC8HRH3CXCR4

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 ADAMTS5 3757/4885ADAMTS4 4268/4885ADAM17 4831/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADAMTS5 3757/4885ADAMTS4 4268/4885ADAM17 4831/4885

“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.