SCHEMBL3028539

SCHEMBL3028539

O=C(O)N(Cc1cc2c(cn1)OCCO2)[C@H]1CCc2cc(-n3c(=O)ccc4ccc(F)cc43)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.36
MCHR1 Q99705 8/20 0.36
HTR2C P28335 4/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.33
HTR2A P28223 2/20 0.32
STING1 Q86WV6 2/20 0.31

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
SCHEMBL3020684 0.81 KCNH2 (0.46) KCNH2
SCHEMBL3021274 0.81 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL3024007 0.80 KCNH2 (0.45) KCNH2
Hydrochloric Acid SCHEMBL3024544 0.80 KCNH2 (0.45) KCNH2
SCHEMBL3028019 0.79 MCHR1 (0.35) KCNH2MCHR1HTR2CSTING1
SCHEMBL3024834 0.79 KCNH2 (0.47) KCNH2
SCHEMBL3013221 0.77 MCHR1 (0.35) KCNH2MCHR1HTR2C
SCHEMBL3804841 0.72 KCNH2 (0.39) KCNH2
SCHEMBL3016030 0.72 KCNH2 (0.36) KCNH2
SCHEMBL3026349 0.72 MCHR1 (0.35) KCNH2MCHR1HTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (1 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH KCNH2 2445/4885MCHR1 4724/4885HTR2C 2852/4885

“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.