SCHEMBL3591440

SCHEMBL3591440

O=C(O)c1coc(-c2cn(CC3CC3)c3ccc(Cl)cc23)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CNR2 P34972 3/20 0.46
KDM4C Q9H3R0 3/20 0.41
ICMT O60725 3/20 0.39
XDH P47989 1/20 0.36
MDM2 Q00987 2/20 0.35

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
SCHEMBL4357106 0.95 CNR1 (0.47) CNR1CNR2KDM4CICMTXDH
SCHEMBL3588519 0.87 CNR1 (0.44) CNR1CNR2
SCHEMBL3593293 0.84 CNR2 (0.48) CNR1CNR2
SCHEMBL3591950 0.84 CNR1 (0.45) CNR1CNR2XDH
SCHEMBL4357149 0.82 CNR1 (0.47) CNR1CNR2XDH
SCHEMBL3595139 0.82 PTGER1 (0.41) ICMTXDH
SCHEMBL4354611 0.82 PTGDR2 (0.38) KDM4C
SCHEMBL4354618 0.81 KDM4E (0.36) KDM4C
SCHEMBL3590472 0.80 KDM4E (0.40) XDH
SCHEMBL3591947 0.80 CNR1 (0.39) CNR1CNR2KDM4CXDH

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 11 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-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
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP 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
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR 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 CNR1 7/4885CNR2 20/4885KDM4C 3354/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 CNR1 43/4885CNR2 62/4885KDM4C 1066/4885

“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.