SCHEMBL3839010

SCHEMBL3839010

O=C(O)CN(CCc1ccc(OCCCCc2ccccc2)cc1)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.63
S1PR1 P21453 4/20 0.58
S1PR3 Q99500 2/20 0.57
S1PR5 Q9H228 1/20 0.57
KCNH2 Q12809 1/20 0.56
LTA4H P09960 1/20 0.55
LTB4R Q15722 2/20 0.55
LTB4R2 Q9NPC1 2/20 0.55
PPARG P37231 4/20 0.52
PPARA Q07869 4/20 0.52
PLA2G4B P0C869 1/20 0.50
BCHE P06276 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6104143 0.88 LTB4R (0.57) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL3837954 0.85 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL3838043 0.85 LTB4R (0.54) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL27541878 0.83 OPRK1 (0.56) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL949517 0.80 LTA4H (0.77) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL12156601 0.79 RAB9A (0.51) KCNH2LTA4HPPARGPPARAMEN1
Hydrochloric Acid SCHEMBL4658264 0.79 LTA4H (0.75) FFAR1S1PR1S1PR3S1PR5LTA4H
SCHEMBL1746597 0.78 FFAR1 (1.00) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL4656572 0.76 FFAR1 (0.97) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL910747 0.76 KCNH2 (0.58) FFAR1S1PR1S1PR3S1PR5KCNH2

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 8 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
CN-1301980-C Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2007-02-28 CN disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 US disclosed
CN-1701064-A Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2005-11-23 CN 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 FFAR1 183/4885S1PR1 1324/4885S1PR3 1432/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C FFAR1 183/4885S1PR1 1324/4885S1PR3 1432/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 FFAR1 363/4885S1PR1 1668/4885S1PR3 2059/4885

“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.