SCHEMBL3841386

SCHEMBL3841386

CON(C)C(=O)CN(CCc1ccc(CC(C)C)cc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
FAAH O00519 1/20 0.47
ALOX5 P09917 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
ACHE P22303 1/20 0.42
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA4 P22748 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL6184346 0.91 L3MBTL1 (0.43) L3MBTL1FAAHALOX5SIGMAR1CA12
SCHEMBL3838682 0.87 L3MBTL1 (0.50) L3MBTL1ALOX5SIGMAR1CA12CA1
SCHEMBL3834256 0.84 ALOX5 (0.51) L3MBTL1ALOX5SIGMAR1CA12CA1
SCHEMBL3838043 0.81 LTB4R (0.54) ACHEKMT2AMEN1
SCHEMBL17275348 0.81 NPC1 (0.50) L3MBTL1CA12CA1CA2ACHE
SCHEMBL2197310 0.76 KMT2A (0.50) L3MBTL1ALOX5CA12CA1CA2
SCHEMBL3834287 0.74 TDP1 (0.49) SIGMAR1ACHEKMT2AMEN1MAOB
SCHEMBL4332580 0.73 NPC1 (0.51) L3MBTL1CA12CA1CA2ACHE
SCHEMBL23270721 0.72 FAAH (0.63) FAAHALOX5HDAC6
SCHEMBL5758293 0.72 RAB9A (0.50) CA12ACHEKMT2AMEN1

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 L3MBTL1 4299/4885FAAH 1182/4885ALOX5 1861/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C L3MBTL1 4299/4885FAAH 1182/4885ALOX5 1861/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 L3MBTL1 4077/4885FAAH 1630/4885ALOX5 575/4885

“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.