SCHEMBL1742880

SCHEMBL1742880

COC(=O)c1cc(Cl)c(O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
HTT P42858 2/20 0.57
HPGD P15428 7/20 0.54
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29046583 0.93 GAA (0.63) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL7419408 0.87 GAA (0.74) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL2793251 0.86 GAA (0.58) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL8900419 0.85 GAA (0.72) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL11317879 0.85 GAA (0.72) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL1743592 0.84 ALDH1A1 (0.51) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL30463099 0.83 CA12 (0.53) GAAKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL2726967 0.83 CA12 (0.53) GAAKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL2650105 0.83 GAA (0.50) GAAHTTHPGDALDH1A1KDM4E
SCHEMBL4445888 0.83 GAA (0.49) GAAHTTHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 EP disclosed
EP-2934594-B1 CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . ALMIRALL SA (ES) 2019-09-04 EP disclosed
CN-106715414-B With 2 adrenaline excitant of β and the active new bicyclic derivatives of M3 muscarinic antagonist 阿尔米雷尔有限公司 2019-08-30 CN disclosed
US-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2019-05-28 US disclosed
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2018-06-26 US disclosed
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2018-01-18 US disclosed
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2017-09-28 US disclosed
US-9757383-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-09-12 US disclosed
EP-3197879-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2017-08-02 EP disclosed
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 US disclosed
WO-2013068554-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-05-16 WO disclosed
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
CN-102892765-A Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2013-01-23 CN disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 WO disclosed
EP-2386555-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities Almirall, S.A. (ES) 2011-11-16 EP disclosed
US-20110254356-A1 Wheel Bearing Apparatus Incorporated With A Wheel Speed Detecting Apparatus NTN CORPORATION (JP) 2011-10-20 US disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP disclosed
US-3959477-A Methods of protection against emesis in mammals by administration of a heterocyclic benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-05-25 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 (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-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 GAA 3739/4885HTT 4220/4885HPGD 1713/4885
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3716/4885HTT 4819/4885HPGD 2176/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3262/4885HTT 4537/4885HPGD 2309/4885
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3244/4885HTT 4194/4885HPGD 1853/4885
US-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 GAA 2875/4885HTT 3934/4885HPGD 339/4885
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 GAA 3732/4885HTT 4814/4885HPGD 1948/4885

“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.