SCHEMBL4806348

SCHEMBL4806348

C#CCCCCOCCCCCCBr

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4800050 0.98 CYP1A2 (0.32) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL4627312 0.95 CYP1A2 (0.31) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL4811172 0.95 CYP1A2 (0.31) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1310220 0.91 CA2 (0.31)
SCHEMBL4805902 0.91 CA2 (0.31)
SCHEMBL21070387 0.88 CA2 (0.32)
SCHEMBL29684541 0.88 MAPT (0.42) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8662790 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL18191285 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL22689611 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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-7442837-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442719-B2 Methods using phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442836-B2 Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
EP-1366025-B1 AGONISTS OF BETA-ADRENORECEPTORS GLAXO GROUP LTD (GB) 2007-06-27 EP disclosed
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer GLAXO GROUP LIMITED (GB) 2007-01-04 US disclosed
US-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-7144908-B2 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2006-12-05 US disclosed
US-7135600-B2 Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis GLAXO GROUP LIMITED (GB) 2006-11-14 US disclosed
US-20040242890-A1 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
US-5039697-A Adrenergic stimulants, bronchodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
US-5032609-A Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
US-5002966-A Adrenergic Stimulants GLAXO GROUP LIMITED (GB) 1991-03-26 US disclosed
US-4996218-A Bronchodilator, antiulcer agent, cardiovascular disorders GLAXO GROUP LIMITED (GB) 1991-02-26 US disclosed
US-4963564-A ADRENERGIC STIMULANTS GLAXO GROUP LTD. (GB) 1990-10-16 US disclosed
US-4921867-A Pyridine compounds useful for therapy or prophylaxis of a disease associated with airway obstruction GLAXO GROUP LIMITED (GB) 1990-05-01 US disclosed
EP-0322164-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 EP disclosed
EP-0303464-A2 Chloroaniline derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed
EP-0303465-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed
EP-0278728-A2 1-(4-Amino-3,5-dichlorophenyl)-2-(substituted amino)ethanol derivatives and their use in the treatment of respiratory disease GLAXO GROUP LIMITED (GB) 1988-08-17 EP 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-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CYP1A2 226/4885CYP2D6 831/4885MAPT 1693/4885
US-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A CYP1A2 180/4885CYP2D6 696/4885MAPT 2690/4885
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CYP1A2 226/4885CYP2D6 831/4885MAPT 1693/4885
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer PTGS1, PTGES, PTGES2 CYP1A2 17/4885CYP2D6 35/4885MAPT 4608/4885

“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.