SCHEMBL6074707

SCHEMBL6074707

CCCCN(C(=O)CC(=O)OCC)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPKAPK2 P49137 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MLYCD O95822 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL6074685 0.78 HDAC6 (0.41) ADRB2ADRB1ADRB3MAPKAPK2SMN1; SMN2
SCHEMBL6988287 0.76 MAPKAPK2 (0.40) ADRB2ADRB1ADRB3MAPKAPK2RAB9A
SCHEMBL6799938 0.76 GAA (0.44) SMN1; SMN2MAPTRAB9AKMT2ATP53
Water SCHEMBL11240451 0.76 SMN1; SMN2 (0.45) ADRB2SMN1; SMN2MAPTRAB9ANPC1
Water SCHEMBL11240458 0.76 SMN1; SMN2 (0.45) ADRB2SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL6074803 0.74 TSHR (0.56) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL11848012 0.73 LIPE (0.48) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL11240455 0.71 SMN1; SMN2 (0.40) ADRB2SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL6074818 0.71 HCRTR2 (0.45) MAPTALDH1A1
SCHEMBL532250 0.70 ALDH1A1 (0.57) SMN1; SMN2MAPTKMT2AGAALMNA

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 7 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
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN 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 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885ADRB3 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.