SCHEMBL616343

SCHEMBL616343

N[C@@H]1CCC[C@@H]1C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL616342 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL9887225 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL7733836 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3240402 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3833315 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL12263192 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL9887265 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3792447 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL3836511 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL12262011 1.00 THRB (0.50) THRBMEN1KMT2AALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG 2012-02-16 US disclosed
US-8076489-B2 3H-benzothiazol-2-one derivatives, for example, (R)-7-[2-(1,1-dimethyl-2-phenyl-ethylamino)-1-hydroxy-ethyl]-5-hydroxy-3H-benzothiazol-2-one; useful for treating conditions that are prevented or alleviated by activation of the beta 2-adrenoreceptor NOVARTIS AG (CH) 2011-12-13 US disclosed
EP-1819686-B1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2011-08-17 EP disclosed
EP-2305659-A1 5-hydroxy-benzothiazole derivatives having beta-2-adrenoreceptor agonist activity Novartis AG (CH) 2011-04-06 EP disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
EP-1613315-B1 QUINOLINE-2-ONE-DERIVATIVES FOR THE TREATMENT OF AIRWAYS DISEASES NOVARTIS AG (CH) 2009-01-21 EP disclosed
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
EP-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 EP disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 WO disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 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 (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-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2C THRB 17/4885MEN1 3671/4885KMT2A 2260/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C THRB 42/4885MEN1 3455/4885KMT2A 2661/4885
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity ADRB2, ADRB1, ADRA2C THRB 17/4885MEN1 3671/4885KMT2A 2260/4885
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 THRB 460/4885MEN1 2971/4885KMT2A 1869/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C THRB 42/4885MEN1 3455/4885KMT2A 2661/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 THRB 206/4885MEN1 1714/4885KMT2A 3108/4885

“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.