SCHEMBL2522004

SCHEMBL2522004

C=CCOc1cccc(C=O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
LIG1 P18858 1/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL29752542 0.85 TSHR (0.45) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL1482988 0.82 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL29690311 0.82 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL3944635 0.81 HPGD (0.49) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL3967770 0.80 HPGD (0.47) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL5042380 0.80 ERN1 (0.57) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL28190797 0.80 HPGD (0.47) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL1749088 0.79 ALDH1A1 (0.48) HPGDALDH1A1HTTSMN1; SMN2GAA
SCHEMBL11179875 0.79 HTR2C (0.47) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL20690103 0.79 HPGD (0.46) HPGDTSHRMAPK1HSD17B10ALDH1A1

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 12 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-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
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
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED 2007-05-10 US disclosed
EP-0011279-B1 PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-05-05 EP disclosed
US-4268442-A REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-05-19 US disclosed
EP-0011279-A1 Process for the preparation of aromatically substituted acetic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-05-28 EP 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-20110251164-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 HPGD 949/4885TSHR 104/4885MAPK1 2946/4885
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 HPGD 949/4885TSHR 104/4885MAPK1 2946/4885
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 HPGD 949/4885TSHR 104/4885MAPK1 2946/4885

“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.