SCHEMBL865598

SCHEMBL865598

O=[N+]([O-])c1cc([C@@H]2CO2)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
ABCB1 P08183 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL31603898 1.00 POLB (0.54) POLBCTSVCTSLLMNAHTT
SCHEMBL7612096 1.00 POLB (0.54) POLBCTSVCTSLLMNAHTT
SCHEMBL546035 1.00 POLB (0.54) POLBCTSVCTSLLMNAHTT
SCHEMBL29858650 0.85 POLB (0.56) POLBCTSVCTSLLMNAHTT
SCHEMBL4370495 0.81 PDE4A (0.47) POLBMAPTKMT2ATDP1L3MBTL1
SCHEMBL2006389 0.81 HPSE (0.49) POLBLMNAHTTMEN1MAPT
SCHEMBL6478977 0.80 POLB (0.51) POLBCTSVCTSLLMNAMEN1
SCHEMBL6328714 0.80 POLB (0.51) POLBCTSVCTSLLMNAMEN1
SCHEMBL13898921 0.78 FFAR4 (0.49) HTTMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL8768747 0.78 MRGPRX4 (0.51) HTTMEN1MAPTKMT2ANPC1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8796307-B2 Beta2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-08-05 US disclosed
US-20140066478-A1 Beta2-Adrenoreceptor Agonists NOVARTIS AG (CH) 2014-03-06 US disclosed
US-8658673-B2 BETA2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-02-25 US disclosed
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS NOVARTIS AG (CH) 2013-09-05 US disclosed
US-8436017-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2332915-B1 Beta2-adrenoceptor agonists NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20120302531-A1 beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-11-29 US disclosed
US-8283362-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2012-10-09 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
US-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 WO disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (7 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 POLB 1141/4885CTSV 4510/4885CTSL 3936/4885
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 POLB 2031/4885CTSV 4422/4885CTSL 3319/4885
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 POLB 2187/4885CTSV 4425/4885CTSL 3805/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A POLB 2052/4885CTSV 4085/4885CTSL 2920/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 POLB 993/4885CTSV 1068/4885CTSL 1140/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 POLB 2304/4885CTSV 4334/4885CTSL 3422/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 POLB 2180/4885CTSV 4442/4885CTSL 3205/4885

“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.