SCHEMBL3602199

SCHEMBL3602199

CCOC(=O)c1coc(-c2cn(C3CCCC3)c3ccc(Cl)cc23)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRA2 P47869 7/20 0.38
GABRB2 P47870 7/20 0.38
WDR5 P61964 1/20 0.38
GAPDH P04406 1/20 0.38
ADORA2B P29275 2/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL3590472 0.86 KDM4E (0.40) PTGDR2KDM4EHSD17B10GAA
SCHEMBL4357149 0.85 CNR1 (0.47) ALDH1A1HPGDKDM4EALOX15TSHR
SCHEMBL3588519 0.84 CNR1 (0.44) ALDH1A1HPGDKDM4EALOX15TSHR
SCHEMBL4357086 0.81 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EALOX15TSHR
SCHEMBL3592525 0.80 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4ECASP1HSD17B10
SCHEMBL3596646 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EALOX15TSHR
SCHEMBL4350902 0.79 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EALOX15TSHR
SCHEMBL4357082 0.79 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EALOX15TSHR
SCHEMBL3587029 0.78 CNR1 (0.40) ALDH1A1
SCHEMBL3587027 0.75 KCNH2 (0.38)

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-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 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 (2 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 PTGDR2 8/4885ALDH1A1 608/4885HPGD 517/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 PTGDR2 239/4885ALDH1A1 515/4885HPGD 1412/4885

“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.