SCHEMBL6074838

SCHEMBL6074838

NCC(O)c1ccc(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
HTR3A P46098 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HIF1A Q16665 1/20 0.54
APEX1 P27695 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 1/20 0.52
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRB2 P07550 3/20 0.50
ADRA1B P35368 2/20 0.50
MAPT P10636 3/20 0.48
RECQL P46063 3/20 0.48
BLM P54132 3/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL7149125 1.00 TAAR1 (0.54) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL9660619 0.83 TYR (0.44)
SCHEMBL7150196 0.83 TAAR1 (0.54) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL2984532 0.81 TYR (0.47)
SCHEMBL12610365 0.81 TYR (0.47)
SCHEMBL7152584 0.79 ESR1 (0.62) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL5943635 0.79 TAAR1 (0.50) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7149473 0.79 ADRA1A (0.65) TSHRNFKB1TDP1KDM4EADRA2A
SCHEMBL7148830 0.77 ADRA2A (0.46) TAAR1TSHRNFKB1APEX1TDP1
SCHEMBL22278955 0.77 TYR (0.50)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
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 TAAR1 25/4885HTR3A 176/4885TSHR 163/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TAAR1 25/4885HTR3A 176/4885TSHR 163/4885

“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.