SCHEMBL1179682

SCHEMBL1179682

C=CCN(CCc1ccccc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
AOC3 Q16853 1/20 0.44
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
HIF1A Q16665 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
PLAAT3 P53816 2/20 0.39
PLAAT5 Q96KN8 2/20 0.39
PLAAT2 Q9NWW9 2/20 0.39
PLAAT4 Q9UL19 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL4531454 0.89 TAAR1 (0.41) TAAR1HPGDALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4512033 0.81 TAAR1 (0.43) TAAR1AOC3HPGDALDH1A1CYP1A2
SCHEMBL18567626 0.80 TAAR1 (0.50) TAAR1AOC3ALDH1A1LMNAHTR3E
SCHEMBL4727500 0.80 KMT2A (0.53) ALDH1A1CYP1A2LMNACCR6NPC1
SCHEMBL18568293 0.79 TAAR1 (0.53) TAAR1AOC3HIF1AHTR3EHTR3B
SCHEMBL10882173 0.75 TAAR1 (0.47) TAAR1AOC3HTR3EHTR3BHTR3A
SCHEMBL4529675 0.74 TAAR1 (0.49) TAAR1AOC3HPGDALDH1A1HTR3E
SCHEMBL18422574 0.73 TAAR1 (0.62) TAAR1AOC3ALDH1A1HIF1AHTR3E
SCHEMBL4517362 0.73 TAAR1 (0.40) TAAR1AOC3HPGDALDH1A1CYP1A2
SCHEMBL1180759 0.72 TAAR1 (0.39) TAAR1AOC3HPGDALDH1A1LMNA

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 15 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-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-08-04 US disclosed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2315589-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-04 EP 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
WO-2009154555-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
EP-2132189-A1 SALTS OF A SELECTIVE BETA-2 ANDRENOCEPTOR AGONIST AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2124941-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST Argenta Discovery Limited (GB) 2009-12-02 EP disclosed
WO-2009139708-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A β2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US 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
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 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 (5 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C TAAR1 70/4885AOC3 900/4885HPGD 1116/4885
US-20100016388-A1 Salts of a Selective Beta-2 Andrenoceptor Agonist ADRB2, ADRA2A, ADRA2B TAAR1 75/4885AOC3 1861/4885HPGD 1715/4885
US-20110190309-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A Beta2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TAAR1 205/4885AOC3 1046/4885HPGD 1542/4885
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TAAR1 206/4885AOC3 822/4885HPGD 1519/4885
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A TAAR1 187/4885AOC3 920/4885HPGD 1827/4885

“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.