SCHEMBL616691

SCHEMBL616691

CN(C)c1ccc(CC(C)(C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57
CHRNA4 P43681 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 6/20 0.54
TSHR P16473 3/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.48
SLC2A1 P11166 1/20 0.40
CALM1 P0DP23 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 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
SCHEMBL1754132 0.82 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL29998273 0.82 ALDH1A1 (0.48) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL23458004 0.79 ALDH1A1 (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10966283 0.79 SLC6A2 (0.48) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL25039216 0.77 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL228926 0.77 SLC6A2 (0.67) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL7554001 0.75 BLM (0.46) ALDH1A1TSHRCYP3A4MAPK1TDP1
Hydrochloric Acid SCHEMBL5831539 0.75 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5708352 0.75 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL10891421 0.75 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B

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
EP-0146067-A2 Novel substrates for D-amino acid oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1985-06-26 EP claimed
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
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 US disclosed
EP-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 EP disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 WO disclosed
US-20050137242-A1 Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-23 US disclosed
EP-1305300-A1 NOVEL, SLOW-ACTING BETAMIMETICS, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-05-02 EP disclosed
US-20020022625-A1 Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-02-21 US disclosed
WO-2001083462-A1 NOVEL, SLOW-ACTING BETAMIMETICS, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-08 WO disclosed
EP-0146067-A2 Novel substrates for D-amino acid oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1985-06-26 EP 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 (4 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-20050137242-A1 Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments CHRM1, ADRB1, ADRB3 SLC6A2 142/4885HTR2A 629/4885SLC6A4 267/4885
US-20020022625-A1 Betamimetics having a long-lasting activity, processes for preparing them, and their use as medicaments ADRB2, ADRB3, ADRB1 SLC6A2 151/4885HTR2A 674/4885SLC6A4 250/4885
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2C SLC6A2 162/4885HTR2A 32/4885SLC6A4 487/4885
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity ADRB2, ADRB1, ADRA2C SLC6A2 162/4885HTR2A 32/4885SLC6A4 487/4885

“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.