SCHEMBL2522641

SCHEMBL2522641

C=CCOc1cc(Cl)c(Cl)cc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
GAA P10253 2/20 0.49
HTR2C P28335 6/20 0.48
HTR2B P41595 4/20 0.48
HTR2A P28223 4/20 0.48
HSD17B10 Q99714 3/20 0.40
HPGD P15428 5/20 0.40
LIG1 P18858 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPOX P50336 2/20 0.36

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
SCHEMBL10399423 0.82 HTR2C (0.51) TSHRGAAHTR2CHTR2BHTR2A
SCHEMBL30826232 0.82 HTR2C (0.51) TSHRGAAHTR2CHTR2BHTR2A
SCHEMBL5957107 0.81 TSHR (0.62) TSHRGAAHTR2CHTR2BHSD17B10
SCHEMBL2520491 0.79 TSHR (0.44) TSHRGAAHTR2CHTR2BHTR2A
SCHEMBL23216493 0.78 HTR2C (0.49) TSHRGAAHTR2CHTR2BHTR2A
SCHEMBL5485838 0.78 TSHR (0.39) TSHRGAAHSD17B10HPGDLIG1
SCHEMBL29782302 0.78 HTR2C (0.49) TSHRGAAHTR2CHTR2BHTR2A
SCHEMBL30826270 0.77 HTR2C (0.48) TSHRGAAHTR2CHTR2BHTR2A
Triclofenol SCHEMBL10399422 0.74 TSHR (0.56) TSHRGAAHTR2CHTR2BHTR2A
SCHEMBL6707110 0.74 MAOB (0.50) TSHRGAAHSD17B10HPGDLIG1

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 9 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
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
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

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 TSHR 104/4885GAA 3248/4885HTR2C 195/4885
US-20070105831-A1 Carboxamide derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 TSHR 104/4885GAA 3248/4885HTR2C 195/4885
US-20100029720-A1 Carboxamide Derivatives As Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 TSHR 104/4885GAA 3248/4885HTR2C 195/4885

“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.