SCHEMBL2523355

SCHEMBL2523355

C=CCOc1ccc(CCl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
TTR P02766 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CSNK2A1 P68400 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 1/20 0.39
HTR2B P41595 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 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
SCHEMBL3069648 0.86 ADRA2A (0.42) GAATSHRTTRADRA2AADRA2B
SCHEMBL16341129 0.85 GAA (0.48) GAATSHRADRA2AADRA2BADRA2C
SCHEMBL2523426 0.85 NPC1 (0.52) GAATSHRTTRADRA2AADRA2B
SCHEMBL13922744 0.85 CSNK2A1 (0.47) GAATSHRADRA2AADRA2BADRA2C
SCHEMBL11410920 0.83 GAA (0.47) GAATSHRADRA2AADRA2BADRA2C
SCHEMBL4523312 0.81 GAA (0.41) GAATSHRADRA2AADRA2BADRA2C
SCHEMBL3455041 0.81 GAA (0.44) GAATSHRADRA2AADRA2BADRA2C
SCHEMBL9545504 0.80 TSHR (0.61) GAATSHRADRA2AADRA2BADRA2C
SCHEMBL4879810 0.80 ALDH1A1 (0.56) GAATTRSMN1; SMN2ALDH1A1MEN1
Alclofenac SCHEMBL25703 0.80 PPARD (0.62) GAATSHRSMN1; SMN2ALDH1A1MEN1

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
EP-1928821-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-06-11 EP disclosed
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists PFIZER LIMITED 2007-05-10 US disclosed
WO-2007034325-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2007-03-29 WO disclosed
US-4221919-A Antiinflammatory substituted phenylacetic acids SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1980-09-09 US 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 GAA 3248/4885TSHR 104/4885TTR 3631/4885
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 GAA 3248/4885TSHR 104/4885TTR 3631/4885
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 GAA 3248/4885TSHR 104/4885TTR 3631/4885

“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.