SCHEMBL1179896

SCHEMBL1179896

CC(C)(C)OC(=O)N(CCCSCCO)CCc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SSTR4 P31391 1/20 0.33
KDM1A O60341 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR1H2 P55055 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32

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
SCHEMBL13712818 0.91 TAAR1 (0.39) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL1180197 0.87 TAAR1 (0.37) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL4524217 0.85 L3MBTL1 (0.41) MEN1KMT2ACA14NPC1RAB9A
SCHEMBL1181113 0.83 TAAR1 (0.41) TAAR1AOC3NPC1RAB9AL3MBTL1
SCHEMBL13712817 0.81 TAAR1 (0.38) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL4512033 0.75 TAAR1 (0.43) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL1801846 0.75 HDAC1 (0.42) TAAR1AOC3SSTR4NR1H2PLAAT3
SCHEMBL4524801 0.74 PTPRC (0.38) TAAR1TSHRL3MBTL1
SCHEMBL15316186 0.74 SLC6A2 (0.47) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL25047631 0.74 TAAR1 (0.44) TAAR1MEN1KMT2AAOC3CA14

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
WO-2010019098-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
US-20100016388-A1 Salts of a Selective Beta-2 Andrenoceptor Agonist ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016388-A1 Salts of a Selective Beta-2 Andrenoceptor Agonist ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009154555-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009139708-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A β2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2008104790-A1 SALTS OF A SELECTIVE BETA-2 ANDRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008104776-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-09-04 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 (4 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-20100016388-A1 Salts of a Selective Beta-2 Andrenoceptor Agonist ADRB2, ADRA2A, ADRA2B TAAR1 75/4885MEN1 4004/4885LMNA 4202/4885
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TAAR1 205/4885MEN1 2492/4885LMNA 2317/4885
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TAAR1 206/4885MEN1 2642/4885LMNA 2328/4885
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TAAR1 187/4885MEN1 2825/4885LMNA 1784/4885

“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.