SCHEMBL3834256

SCHEMBL3834256

CC(C)Cc1ccc(CCN(CC(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
MAOB P27338 1/20 0.45
OPRK1 P41145 3/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL27541878 0.87 OPRK1 (0.56) ALOX5L3MBTL1OPRK1OPRM1OPRD1
SCHEMBL3841386 0.84 L3MBTL1 (0.47) ALOX5L3MBTL1SIGMAR1MAOBHPGD
SCHEMBL5512649 0.81 OPRK1 (0.48) L3MBTL1MAOBOPRK1OPRM1OPRD1
SCHEMBL2799777 0.78 TDP1 (0.52) OPRK1OPRM1OPRD1MEN1KMT2A
SCHEMBL2443821 0.78 KEAP1 (0.54) ALOX5L3MBTL1OPRK1OPRM1OPRD1
SCHEMBL2284795 0.77 TDP1 (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL212272 0.76 AKR1B1 (0.52) MEN1KMT2ACA12
SCHEMBL5541857 0.76 RORC (0.56) CA12
SCHEMBL7564337 0.75 TDP1 (0.58) CA12CA1CA2SLC6A2SLC6A4
SCHEMBL3839010 0.75 FFAR1 (0.63) MEN1KMT2AKCNH2

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 ALOX5 1861/4885L3MBTL1 4299/4885SIGMAR1 70/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ALOX5 1861/4885L3MBTL1 4299/4885SIGMAR1 70/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ALOX5 575/4885L3MBTL1 4077/4885SIGMAR1 30/4885

“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.