SCHEMBL6074847

SCHEMBL6074847

CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.69
ADRB1 P08588 11/20 0.69
ADRB2 P07550 9/20 0.69
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR65 Q8IYL9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GHSR Q92847 1/20 0.46

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
SCHEMBL7248096 1.00 ADRB3 (0.69) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6075017 0.89 ADRB3 (0.56) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6075075 0.85 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL6074041 0.84 ADRB3 (0.56) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7558741 0.81 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7133349 0.81 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7640888 0.81 ADRB3 (0.60) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6074614 0.81 ADRB3 (0.60) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6074094 0.81 ADRB3 (0.79) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6074386 0.80 ADRB3 (0.68) ADRB3ADRB1ADRB2KDM4EMEN1

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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US claimed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US 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
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 ADRB3 2/4885ADRB1 1/4885ADRB2 3/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885ADRB2 3/4885

“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.