SCHEMBL3833711

SCHEMBL3833711

CCCc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.74
▸ MAPT P10636 1/20 0.74
▸ BCHE P06276 4/20 0.60
▸ SIGMAR1 Q99720 4/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAOA P21397 1/20 0.53
▸ LTA4H P09960 1/20 0.53
▸ EPHX2 P34913 1/20 0.53

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
Hydrochloric Acid SCHEMBL3837992 0.98 GAA (0.78) GAAMAPTBCHESIGMAR1MEN1
Diethylamine SCHEMBL7882261 0.90 GAA (0.77) GAAMAPTBCHESIGMAR1MEN1
SCHEMBL11881258 0.90 GAA (0.91) GAAMAPTBCHESIGMAR1MEN1
SCHEMBL3272134 0.90 GAA (0.91) GAAMAPTBCHESIGMAR1MEN1
SCHEMBL8251058 0.89 GAA (0.74) GAAMAPTBCHESIGMAR1MEN1
SCHEMBL27228 0.88 GAA (0.95) GAAMAPTBCHESIGMAR1MEN1
Hydrochloric Acid SCHEMBL3834554 0.87 GAA (0.67) GAAMAPTBCHESIGMAR1MEN1
SCHEMBL8092833 0.87 SIGMAR1 (0.72) GAAMAPTBCHESIGMAR1MEN1
SCHEMBL25432637 0.86 GAA (0.91) GAAMAPTBCHESIGMAR1MEN1
Hydrochloric Acid SCHEMBL1983401 0.86 GAA (1.00) GAAMAPTBCHESIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 — — US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 — — EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 — — US disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 — — US disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 — — EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 — — 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C GAA 3278/4885MAPT 1096/4885BCHE 2672/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C GAA 3278/4885MAPT 1096/4885BCHE 2672/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 GAA 2255/4885MAPT 1291/4885BCHE 3245/4885

“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.

Send feedback