SCHEMBL6074050

SCHEMBL6074050

CCCCN(c1ccc(N2CCC(=O)CC2)cc1)S(=O)(=O)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
ALOX5 P09917 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.37
ESR1 P03372 1/20 0.37
NR1I2 O75469 1/20 0.37
RORC P51449 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGES O14684 2/20 0.34

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 0.74 HDAC6 (0.41) ADRB2ADRB1ADRB3S1PR1TP53
SCHEMBL6988287 0.73 MAPKAPK2 (0.40) ADRB2ADRB1ADRB3S1PR1
SCHEMBL6074924 0.72 ALDH1A1 (0.38) RORC
SCHEMBL6074707 0.70 ADRB2 (0.41) ADRB2ADRB1ADRB3TP53KDM4E
SCHEMBL6801688 0.70 GAA (0.62) RORCTP53
SCHEMBL6799938 0.68 GAA (0.44) L3MBTL1RORCTP53
SCHEMBL6074818 0.68 HCRTR2 (0.45) S1PR1
SCHEMBL6799112 0.66 RORC (0.45) RORC
SCHEMBL6796417 0.66 KMT2A (0.56) ADRB2RORCKDM4E
SCHEMBL6302274 0.66 ESR1 (0.63) ALOX5L3MBTL1ESR1NR1I2PTGES

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 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.