SCHEMBL865550

SCHEMBL865550

COCc1cc2c(cc1COC)CC(NC(=O)C(F)(F)F)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PRMT5 O14744 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
NQO2 P16083 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APOB P04114 2/20 0.34
MTTP P55157 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL7860302 0.86 ELANE (0.39) KDM4ELMNAGAAHTTNCOA1
SCHEMBL4124063 0.85 CA1 (0.39) KDM4ELMNAGAAHTTALDH1A1
SCHEMBL4607791 0.78 APOB (0.36) KDM4ELMNAGAAHTTALDH1A1
SCHEMBL4607263 0.73 CA1 (0.43) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7248144 0.73 CA1 (0.43) KDM4ELMNAGAAMTNR1AMTNR1B
SCHEMBL7690123 0.73 CA1 (0.43) KDM4ELMNAGAAMTNR1AMTNR1B
SCHEMBL21798809 0.72 MTNR1A (0.49) KDM4ECYP1A2HTTNCOA1NCOA3
SCHEMBL2283276 0.72 MAPT (0.50) KDM4ELMNAMTNR1AMTNR1BMEN1
SCHEMBL4607688 0.71 MAPT (0.45) APOBMTTPCA12CA1CA2
SCHEMBL3441786 0.71 CA1 (0.43) LMNAGAAAPOBMTTPCA12

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 20 patents. 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-20120077838-A1 Beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-03-29 US disclosed
US-8067437-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2011-11-29 US disclosed
EP-2332915-A1 Beta2-adrenoceptor agonists Novartis AG (CH) 2011-06-15 EP disclosed
US-20110034509-A1 Beta-2-Adrenoreceptor Agonists CUENOUD BERNARD 2011-02-10 US disclosed
US-7820694-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis CUENOUD BERNARD 2010-02-04 US disclosed
US-7622483-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2009-11-24 US disclosed
EP-1183240-B1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2005-07-14 US disclosed
US-6878721-B1 N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory NOVARTIS AG (CH) 2005-04-12 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 (8 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-20110034509-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4461/4885CYP1A2 826/4885GLA 2049/4885
US-20120077838-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4461/4885CYP1A2 826/4885GLA 2049/4885
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4633/4885CYP1A2 784/4885GLA 2053/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A KDM4E 4041/4885CYP1A2 490/4885GLA 2002/4885
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 KDM4E 3842/4885CYP1A2 946/4885GLA 3225/4885
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 KDM4E 3842/4885CYP1A2 946/4885GLA 3225/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 KDM4E 4706/4885CYP1A2 816/4885GLA 2070/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4461/4885CYP1A2 826/4885GLA 2049/4885

“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.