Oxirane

Oxirane

SCHEMBL865844

C1CO1.O=c1ccc2cccc3c2n1-c1cccc(c1)CO3

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TYMS P04818 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 SCHEMBL3757849 0.76
SCHEMBL11398596 0.64 HTR1A (0.36) KDM4ETYMS
SCHEMBL15828537 0.57 ALDH1A1 (0.39) KDM4EALDH1A1TYMSCYP1A2HPGD
SCHEMBL10967544 0.56 CA12 (0.41) KDM4EALDH1A1TYMSCYP1A2HPGD
SCHEMBL4499653 0.55 HSD17B3 (0.38) KDM4EALDH1A1TYMSCYP1A2HPGD
SCHEMBL28419063 0.55 PRF1 (0.38) KDM4EALDH1A1TYMSCYP1A2HPGD
Hydrochloric Acid SCHEMBL28215018 0.54 KMT2A (0.41) KDM4EALDH1A1TYMSCYP1A2HPGD
Ammonia Solution, Strong SCHEMBL20994638 0.54 KMT2A (0.41) KDM4EALDH1A1TYMSCYP1A2HPGD
SCHEMBL28989965 0.54 KMT2A (0.41) KDM4EALDH1A1TYMSCYP1A2HPGD
SCHEMBL14373225 0.53 HSD17B10 (0.59) KDM4EALDH1A1TYMSCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347345-B1 MIXED SOLVATE OF (R)-5-[2-(5,6-DIETHYLINDAN-2-YLAMINO)-1-HYDROXYETHYL]-8-HYDROXY-1H-QUINOLIN-2-ONE L-TARTRATE INKE SA (ES) 2019-07-31 EP disclosed
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-20050009795-A1 Mixtures or organic compounds for the treatment of airway diseases CUENOUD BERNARD (CH) 2005-01-13 US disclosed
US-6800643-B2 CORTICOSTEROID AND AN INDANYL-QUINOLINONE COMPOUND NOVARTIS AG (CH) 2004-10-05 US disclosed
US-20040038951-A1 Organic compounds NOVARTIS AG (CH) 2004-02-26 US disclosed
EP-1341542-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2003-09-10 EP disclosed
WO-2002045703-A2 MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENTOF AIRWAY DISEASES NOVARTIS AG (CH) 2002-06-13 WO disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 WO disclosed
US-5750701-A Heterocyclic ethanolamine derivatives with β-adrenoreceptor agonistic activity SMITHKLINE BEECHAM PLC (GB) 1998-05-12 US disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 EP disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 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 (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-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4633/4885ALDH1A1 2969/4885TYMS 4441/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A KDM4E 4041/4885ALDH1A1 3219/4885TYMS 4222/4885
US-20040038951-A1 Organic compounds CYP11B2, NR3C2, CYP11B1 KDM4E 4495/4885ALDH1A1 827/4885TYMS 1050/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 KDM4E 4706/4885ALDH1A1 3071/4885TYMS 4446/4885
US-20050009795-A1 Mixtures or organic compounds for the treatment of airway diseases NR3C2, CYP11B2, NR3C1 KDM4E 4810/4885ALDH1A1 1293/4885TYMS 1050/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KDM4E 4461/4885ALDH1A1 2766/4885TYMS 4429/4885

“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.