SCHEMBL6797677

SCHEMBL6797677

NCC(O)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 2/20 0.57
GAA P10253 2/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL6075106 1.00 RAB9A (0.59) RAB9ATSHRHSD17B10LMNACYP1A2
SCHEMBL10926521 0.92 KMT2A (0.53) RAB9ATSHRHSD17B10LMNACYP1A2
SCHEMBL10492673 0.90 RAB9A (0.66) RAB9ATSHRHSD17B10LMNACYP1A2
SCHEMBL773087 0.89 MAOB (0.59) RAB9ATSHRHSD17B10HIF1AMAOB
SCHEMBL5878404 0.86 L3MBTL1 (0.61) TSHRHSD17B10LMNAHIF1AKMT2A
SCHEMBL4019175 0.86 L3MBTL1 (0.61) TSHRHSD17B10LMNAHIF1AKMT2A
SCHEMBL2021875 0.86 L3MBTL1 (0.61) TSHRHSD17B10LMNAHIF1AKMT2A
SCHEMBL25152953 0.85 MAOB (0.60) RAB9ALMNACYP1A2PTGS1SLC6A2
SCHEMBL29162424 0.85 MAOB (0.60) RAB9ALMNACYP1A2PTGS1SLC6A2
SCHEMBL21634013 0.85 KMT2A (0.48) RAB9ATSHRHSD17B10MAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP disclosed
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists WYETH (US) 2003-02-06 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 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-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS 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
EP-0171702-A1 Benzoxazinone derivatives, preparation and use BEECHAM GROUP PLC (GB) 1986-02-19 EP disclosed
EP-0171760-A2 Substituted phenoxypropylaminoethoxyphenoxyacetamides BEECHAM GROUP PLC (GB) 1986-02-19 EP disclosed
EP-0064487-A1 New substituted 3-(parasubstituted)phenoxy-1-alkylamino-propanol-2-s, as well as process for their preparation, pharmaceutical preparations containing same, and method for treating cardiac failure Aktiebolaget Hässle (SE) 1982-11-10 EP disclosed
US-4336267-A Heart active compounds and methods of use AKTIEBOLAGET HASSLE (SE) 1982-06-22 US disclosed
US-4244969-A (P-HYDROXYPHENOXY)PROPANOLAMINE DERIVATIVES USEFUL AS B-RECEPTOR STIMULANTS AKTIEBOLAGET HASSLE (SE) 1981-01-13 US disclosed
US-4020071-A B-ADRENOLYTIC, ANTIARRHYTHMIA CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-04-26 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 (4 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-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RAB9A 3212/4885TSHR 59/4885HSD17B10 1280/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RAB9A 2942/4885TSHR 57/4885HSD17B10 1400/4885
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RAB9A 1847/4885TSHR 94/4885HSD17B10 517/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 RAB9A 1938/4885TSHR 96/4885HSD17B10 488/4885

“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.