SCHEMBL3840671

SCHEMBL3840671

O=C1c2ccccc2C(=O)N1C1CCCC1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSC P53634 1/20 0.44
CTSF Q9UBX1 1/20 0.44
MAPK1 P28482 1/20 0.41
SCN9A Q15858 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
GRM5 P41594 1/20 0.39
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3840673 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1028267 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1027406 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7540849 0.78 NPC1 (0.51) ALDH1A1
SCHEMBL7540854 0.78 NPC1 (0.51) ALDH1A1
SCHEMBL20995912 0.78 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18973309 0.77 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14436545 0.75 KCNA5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625041 0.75 KCNA5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21359781 0.74 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 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

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 PSEN1 2002/4885PSEN2 1057/4885APH1B 3764/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C PSEN1 2002/4885PSEN2 1057/4885APH1B 3764/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 PSEN1 1261/4885PSEN2 665/4885APH1B 3690/4885

“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.