Oxirane

Oxirane

SCHEMBL866076

C1CO1.Cc1cc2cccc3c2n(c1=O)-c1cccc(c1)CO3

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
BRD9 Q9H8M2 1/20 0.32
NR3C2 P08235 1/20 0.31
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
TYMS P04818 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
Oxirane SCHEMBL865844 0.82 KDM4E (0.31) ALDH1A1KDM4ETYMSCYP1A2HPGD
SCHEMBL9397917 0.66 METAP2 (0.38) ALDH1A1KDM4ETSHRCYP1A2HSD17B10
Oxirane SCHEMBL3757849 0.64
SCHEMBL28723434 0.60 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL17520233 0.60 AHR (0.50) LMNAALDH1A1KDM4ECYP1A2HPGD
SCHEMBL18258200 0.59 MCL1 (0.48) EGLN1
SCHEMBL10672471 0.58 PDE4B (0.46) LMNAALDH1A1KDM4ETSHRHPGD
SCHEMBL17520237 0.58 HSD17B10 (0.57) LMNAALDH1A1KDM4ECYP1A2HPGD
SCHEMBL18258133 0.57 MCL1 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL10674017 0.56 KMT2A (0.49) LMNAALDH1A1KDM4ETSHRCYP1A2

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 19 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-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 (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-20120077838-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 LMNA 1256/4885ALDH1A1 2766/4885BRD9 1277/4885
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 LMNA 1422/4885ALDH1A1 2969/4885BRD9 1284/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A LMNA 1248/4885ALDH1A1 3219/4885BRD9 994/4885
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 LMNA 3768/4885ALDH1A1 3520/4885BRD9 707/4885
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 LMNA 3768/4885ALDH1A1 3520/4885BRD9 707/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 LMNA 1403/4885ALDH1A1 3071/4885BRD9 1201/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 LMNA 1256/4885ALDH1A1 2766/4885BRD9 1277/4885

“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.