SCHEMBL2525832

SCHEMBL2525832

C=CCOc1cc(CO)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 2/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 6/20 0.40
HTR2A P28223 5/20 0.40
HTR2B P41595 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2523426 0.87 NPC1 (0.52) TSHRGAALMNAALDH1A1CYP2D6
SCHEMBL3069648 0.85 ADRA2A (0.42) TSHRGAALMNAALDH1A1CYP2D6
SCHEMBL2520278 0.83 GAA (0.44) TSHRGAALMNAALDH1A1CYP2D6
SCHEMBL27742632 0.81 GAA (0.42) TSHRGAALMNAALDH1A1CYP2D6
SCHEMBL2523419 0.80 CYP4F2 (0.51) TSHRGAALMNAALDH1A1CYP2D6
SCHEMBL2518848 0.79 GAA (0.46) TSHRGAAALDH1A1ADRA2AADRA2B
SCHEMBL16685038 0.79 GAA (0.57) TSHRGAALMNAALDH1A1CYP2D6
SCHEMBL168322 0.79 ALDH1A1 (0.64) GAALMNAALDH1A1CYP2D6MEN1
SCHEMBL4877099 0.79 ALDH1A1 (0.56) GAALMNAALDH1A1CYP2D6MEN1
SCHEMBL1121617 0.77 LMNA (0.47) TSHRGAALMNAALDH1A1NPC1

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-8486992-B2 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED (GB) 2013-07-16 US disclosed
US-8268881-B2 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED (GB) 2012-09-18 US disclosed
CN-101268046-B Carboxamide derivatives as muscarinic receptor antagonists PFIZER 2012-07-25 CN disclosed
US-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists GLOSSOP PAUL ALAN 2011-10-13 US disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-7772223-B2 5-Methyl-5-(3-phenoxyazetidin-1-yl)-2,2-diphenylhexanamide, used for the treatment of respiratory system disorders such as asthma, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis and emphysema PFIZER INC. (US) 2010-08-10 US disclosed
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists GLOSSOP PAUL ALAN 2010-02-04 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1928821-B1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 2009-01-07 EP disclosed
CN-101268046-A Carboxamide derivatives as muscarinic receptor antagonists PFIZER LTD (GB) 2008-09-17 CN disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED 2007-05-10 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885GAA 92/4885LMNA 3190/4885
US-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 TSHR 104/4885GAA 3248/4885LMNA 3109/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885GAA 92/4885LMNA 3190/4885
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 TSHR 104/4885GAA 3248/4885LMNA 3109/4885
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 TSHR 104/4885GAA 3248/4885LMNA 3109/4885

“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.