SCHEMBL6074655

SCHEMBL6074655

COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@@H](O)c4cccc(Cl)c4)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
PGR P06401 1/20 0.48
ADRB3 P13945 10/20 0.46
ADRB1 P08588 7/20 0.46
ALOX15 P16050 4/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.46
ADRB2 P07550 4/20 0.46
HTT P42858 4/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 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
SCHEMBL6074649 1.00 KMT2A (0.50) KMT2APGRADRB3ADRB1ALOX15
SCHEMBL6074028 0.91 KMT2A (0.51) KMT2AADRB3ADRB1ALOX15LMNA
SCHEMBL6074604 0.90 KMT2A (0.55) KMT2APGRADRB3ADRB1ALOX15
SCHEMBL6074597 0.90 KMT2A (0.55) KMT2APGRADRB3ADRB1ALOX15
SCHEMBL6074353 0.90 KMT2A (0.55) KMT2APGRADRB3ADRB1ALOX15
SCHEMBL6073714 0.87 ADRB3 (0.55) KMT2AADRB3ADRB1ADRB2
SCHEMBL6073706 0.87 ADRB3 (0.55) KMT2AADRB3ADRB1ADRB2
SCHEMBL6075391 0.83 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6074978 0.83 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6074802 0.81 ADRB3 (0.47) KMT2AADRB3ADRB1ADRB2MAPT

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 9 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 claimed
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
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 KMT2A 3638/4885PGR 1041/4885ADRB3 2/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 3638/4885PGR 1041/4885ADRB3 2/4885

“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.