SCHEMBL866027

SCHEMBL866027

Cc1cc2c(cc1C)CC(C)(NC(=O)c1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
FAAH O00519 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 3/20 0.42
FKBP5 Q13451 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CXCR5 P32302 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL867351 0.87 FAAH (0.47) KMT2ACYP2C19MAPK1ALDH1A1HPGD
SCHEMBL866774 0.85 GAA (0.42) KMT2ACYP2C19MAPK1ALDH1A1HPGD
SCHEMBL865765 0.82 KMT2A (0.45) KMT2ANPC1RAB9ACYP2C19MAPK1
SCHEMBL866386 0.80 CTSL (0.41) FAAHGAACTSLCTSK
SCHEMBL12987195 0.78 FAAH (0.51) KMT2ACYP2C19MAPK1ALDH1A1HPGD
SCHEMBL10604536 0.75 CTSL (0.49) KMT2ACYP2C19MAPK1ALDH1A1HPGD
SCHEMBL29120775 0.75 LMNA (0.53) KMT2ACYP2C19MAPK1ALDH1A1FAAH
SCHEMBL3042693 0.74 HDAC9 (0.44) POLBCXCR5LMNAL3MBTL1
SCHEMBL10590807 0.73 CTSK (0.54) KMT2ACYP2C19MAPK1ALDH1A1FAAH
SCHEMBL30984052 0.73 FAAH (0.47) KMT2ACYP2C19MAPK1ALDH1A1HPGD

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 KMT2A 4092/4885NPC1 2245/4885RAB9A 1500/4885
US-20120077838-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KMT2A 4092/4885NPC1 2245/4885RAB9A 1500/4885
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KMT2A 4326/4885NPC1 2466/4885RAB9A 1546/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A KMT2A 3571/4885NPC1 2241/4885RAB9A 1021/4885
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 KMT2A 4231/4885NPC1 4362/4885RAB9A 661/4885
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 KMT2A 4231/4885NPC1 4362/4885RAB9A 661/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 KMT2A 4426/4885NPC1 2077/4885RAB9A 1635/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KMT2A 4092/4885NPC1 2245/4885RAB9A 1500/4885

“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.