SCHEMBL874650

SCHEMBL874650

C=CCC1Cc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.57
CYP19A1 P11511 1/20 0.53
ACHE P22303 7/20 0.51
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
DRD1 P21728 1/20 0.42

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
SCHEMBL8364658 0.84 METAP1 (0.61) METAP1CYP19A1ACHEDRD3HTR1A
SCHEMBL9534253 0.83 CYP19A1 (0.55) METAP1CYP19A1ACHEHTR1AHTR2C
SCHEMBL1705992 0.80 METAP1 (0.62) METAP1CYP19A1ACHEDRD3HTR1A
SCHEMBL8873261 0.80 METAP1 (0.58) METAP1CYP19A1ACHEDRD3HTR1A
SCHEMBL8873256 0.80 METAP1 (0.58) METAP1CYP19A1ACHEDRD3HTR1A
SCHEMBL8873267 0.80 METAP1 (0.58) METAP1CYP19A1ACHEDRD3HTR1A
SCHEMBL8899419 0.78 SIGMAR1 (0.49) METAP1CYP19A1ACHEDRD2HTR2A
SCHEMBL21601905 0.78 CYP19A1 (0.44) METAP1CYP19A1ACHE
SCHEMBL28949987 0.78 METAP1 (0.51) METAP1CYP19A1ACHEDRD3HTR1A
SCHEMBL12013905 0.77 ACHE (0.53) METAP1CYP19A1ACHEDRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017223160-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2017-12-28 WO 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-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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
CN-1798559-A Quinoline-2-one-derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2006-07-05 CN disclosed
EP-1613315-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES Novartis AG (CH) 2006-01-11 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
WO-2004087142-A1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2004-10-14 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

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 METAP1 3154/4885CYP19A1 2489/4885ACHE 1594/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A METAP1 3893/4885CYP19A1 2798/4885ACHE 1206/4885
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 METAP1 2310/4885CYP19A1 1785/4885ACHE 346/4885
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 METAP1 3043/4885CYP19A1 2849/4885ACHE 1618/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 METAP1 2932/4885CYP19A1 2608/4885ACHE 1648/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 METAP1 3233/4885CYP19A1 2272/4885ACHE 1944/4885

“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.