SCHEMBL6074409

SCHEMBL6074409

O=S(=O)(Nc1ccc(N2CCC(NC[C@H](O)COc3ccccc3)CC2)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 4/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
XBP1 P17861 1/20 0.59
POLB P06746 1/20 0.50
PTGES2 Q9H7Z7 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.43
ADRB3 P13945 7/20 0.42
ADRB1 P08588 6/20 0.42
ADRB2 P07550 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL6074869 0.87 ADRB3 (0.55) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL6074256 0.85 LMNA (0.54) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL6074347 0.79 ADRB3 (0.52) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL6074750 0.78 LMNA (0.69) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL6073971 0.78 ADRB3 (0.51) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6073967 0.78 LMNA (0.57) SMN1; SMN2LMNAHTTMAPTMEN1
SCHEMBL7637184 0.75 TDP1 (0.43) LMNAMEN1KMT2AALDH1A1ADRB3
SCHEMBL6073977 0.75 TDP1 (0.43) LMNAMEN1KMT2AALDH1A1ADRB3
SCHEMBL6800666 0.74 ADRB3 (0.49) LMNAHTTMAPTMEN1KMT2A
SCHEMBL6074320 0.74 LMNA (0.58) SMN1; SMN2LMNAHTTMAPTMEN1

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 11 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
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 SMN1; SMN2 3999/4885LMNA 2593/4885HTT 1722/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 3999/4885LMNA 2593/4885HTT 1722/4885

“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.