SCHEMBL3838682

SCHEMBL3838682

CCCc1ccc(CCN(CC(=O)N(C)OC)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 7/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
ACHE P22303 1/20 0.46
BCHE P06276 1/20 0.46
CA4 P22748 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2D6 P10635 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 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
SCHEMBL3841386 0.87 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2ACHE
SCHEMBL3838043 0.84 LTB4R (0.54) ACHEBCHECYP2D6KMT2A
SCHEMBL17275348 0.84 NPC1 (0.50) L3MBTL1CA12CA1CA2ACHE
SCHEMBL6184346 0.79 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2ACHE
SCHEMBL2197310 0.79 KMT2A (0.50) L3MBTL1CA12CA1CA2CA4
SCHEMBL4332580 0.76 NPC1 (0.51) L3MBTL1CA12CA1CA2ACHE
SCHEMBL5758293 0.75 RAB9A (0.50) CA12ACHEBCHEALDH1A1MAPT
SCHEMBL2405372 0.73 L3MBTL1 (0.70) L3MBTL1ACHEBCHETMEM97SIGMAR1
SCHEMBL27541878 0.73 OPRK1 (0.56) L3MBTL1CA12CA1CA2CA4
SCHEMBL6104143 0.72 LTB4R (0.57) ACHEBCHECYP2D6KMT2A

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 4299/4885CA12 4594/4885CA1 3851/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C L3MBTL1 4299/4885CA12 4594/4885CA1 3851/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 L3MBTL1 4077/4885CA12 2022/4885CA1 1482/4885

“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.