Sugi Predict

Sugi Predict / Compounds / SCHEMBL3836095

SCHEMBL3836095

SCHEMBL3836095

O=C(CN(CCc1ccc(OCCCCc2ccccc2)cc1)Cc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.43
▸ ADRB1 P08588 5/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ MAOB P27338 3/20 0.41

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
SCHEMBL5119454 0.88 ADRB2 (0.48) ADRB2ADRB1DRD2
SCHEMBL3833821 0.82 ADRB2 (0.56) ADRB2ADRB1DRD3DRD2
SCHEMBL5709158 0.77 ADRB2 (0.46) ADRB2ADRB1DRD3DRD2
SCHEMBL5630237 0.77 FFAR1 (0.41) FFAR1
SCHEMBL3839010 0.75 FFAR1 (0.63) FFAR1
SCHEMBL5119435 0.73 ADRB2 (0.58) ADRB2ADRB1DRD2
SCHEMBL5532802 0.73 ADRB2 (0.57) ADRB2ADRB1DRD3DRD2
SCHEMBL6104143 0.71 LTB4R (0.57) FFAR1
SCHEMBL3834974 0.71 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2
SCHEMBL3838340 0.70 LTB4R (0.36) FFAR1MAOB

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
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 — — EP disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 — — US disclosed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 — — WO 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 ADRB2 1/4885ADRB1 2/4885DRD3 711/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 711/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD3 623/4885

“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.