SCHEMBL6074999

SCHEMBL6074999

NCC(O)c1cc(C(N)=O)c2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 3/20 0.56
▸ IKBKB O14920 11/20 0.52
▸ CHUK O15111 10/20 0.52
▸ PDPK1 O15530 1/20 0.49
▸ KEAP1 Q14145 1/20 0.36
▸ BLM P54132 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ RECQL P46063 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ PMP22 Q01453 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 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
SCHEMBL20884066 0.81 IKBKB (0.56) ADRB1IKBKBCHUKPDPK1KEAP1
SCHEMBL10851167 0.78 ADRB1 (0.60) ADRB1IKBKBCHUKPDPK1KEAP1
SCHEMBL29898213 0.73 IKBKB (0.62) ADRB1IKBKBCHUKPDPK1KEAP1
SCHEMBL10855572 0.73 ADRB1 (1.00) ADRB1IKBKBCHUKKDM4ELMNA
SCHEMBL552112 0.72 IKBKB (0.60) ADRB1IKBKBCHUKPDPK1KEAP1
SCHEMBL28335692 0.72 IKBKB (0.60) ADRB1IKBKBCHUKPDPK1KEAP1
SCHEMBL7130762 0.72 ADRB3 (0.57) ADRB1IKBKBCHUKADRB2ADRA2C
SCHEMBL20884986 0.70 IKBKB (0.57) ADRB1IKBKBCHUKPDPK1KEAP1
SCHEMBL6075622 0.69 ADRB2 (0.62) ADRB1BLMKDM4ERECQLMAPT
SCHEMBL9135589 0.69 ADRB2 (0.62) ADRB1BLMKDM4ERECQLMAPT

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-4521606-A 5-Indolyl substituted aminoethanols AMERICAN HOME PRODUCTS CORP. (US) 1985-06-04 — — US claimed
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
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
US-4622399-A Bicyclo-heterocyclic nitrogen substituted aminoethanol derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1986-11-11 — — US disclosed
US-4562200-A 5(Indolyl) and 5(2,3-dihydroindolyl) substituted aminoethanols and their use as anti-hypertensives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-12-31 — — US disclosed
US-4521606-A 5-Indolyl substituted aminoethanols AMERICAN HOME PRODUCTS CORP. (US) 1985-06-04 — — US 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 ADRB1 1/4885IKBKB 1472/4885CHUK 497/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885IKBKB 1472/4885CHUK 497/4885

“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.

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