SCHEMBL6074318

SCHEMBL6074318

NC[C@@H](O)COc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ADRB3 P13945 6/20 0.53
▸ ADRB2 P07550 4/20 0.53
▸ ADRB1 P08588 4/20 0.53
▸ KCNH2 Q12809 1/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6074194 1.00 PTGS1 (0.57) PTGS1SLC6A2KMT2ASMN1; SMN2ADRB3
SCHEMBL11127254 0.92 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2TSHRLMNAPOLB
SCHEMBL10492789 0.87 PTGS1 (0.65) PTGS1SLC6A2SMN1; SMN2ADRB3ADRB2
SCHEMBL10490309 0.87 PTGS1 (0.65) PTGS1SLC6A2SMN1; SMN2ADRB3ADRB2
SCHEMBL10077718 0.87 HTT (0.58) PTGS1SLC6A2KMT2ASMN1; SMN2ADRB3
SCHEMBL11252520 0.84 PTGS1 (0.58) PTGS1SLC6A2KMT2ASMN1; SMN2ADRB3
SCHEMBL10770337 0.82 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2TSHRLMNAPOLB
SCHEMBL16314627 0.82 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2TSHRLMNAPOLB
SCHEMBL768290 0.82 KMT2A (0.53) KMT2ASMN1; SMN2KCNH2TSHRMAPT
SCHEMBL772822 0.82 TSHR (0.65) KMT2ASMN1; SMN2TSHRLMNAPOLB

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 23 patents — showing the first 20. 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-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 — — US disclosed
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 — — US disclosed
US-6649603-B2 For therapy of metabolic disorders related to insulin resistance or hyperglycemia WYETH 2003-11-18 — — US disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 — — US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 — — US disclosed
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 — — EP disclosed
US-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 — — 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-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 — — US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 — — US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 — — US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 — — US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 — — US disclosed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 — — US disclosed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS 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 (6 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 PTGS1 421/4885SLC6A2 144/4885KMT2A 3638/4885
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 PTGS1 3320/4885SLC6A2 452/4885KMT2A 2355/4885
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PTGS1 1898/4885SLC6A2 168/4885KMT2A 3512/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PTGS1 421/4885SLC6A2 144/4885KMT2A 3638/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 PTGS1 3649/4885SLC6A2 168/4885KMT2A 906/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 PTGS1 1898/4885SLC6A2 168/4885KMT2A 3512/4885

“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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