SCHEMBL3587029

SCHEMBL3587029

O=C(NN1CCOCC1)c1coc(-c2cn(C3CCCC3)c3ccc(Cl)cc23)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.40
CNR2 P34972 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL3592525 0.87 SMN1; SMN2 (0.42) SMN1; SMN2KCNH2ALDH1A1MAPK1
SCHEMBL3591950 0.84 CNR1 (0.45) CNR1CNR2SMN1; SMN2
SCHEMBL3590472 0.83 KDM4E (0.40) KCNH2SCN5ASCN9A
SCHEMBL3587027 0.79 KCNH2 (0.38) CNR1CNR2KCNH2
SCHEMBL3602199 0.78 PTGDR2 (0.41) ALDH1A1
SCHEMBL3593293 0.71 CNR2 (0.48) CNR1CNR2
SCHEMBL3603195 0.68 CNR2 (0.42) CNR1CNR2
SCHEMBL4357106 0.67 CNR1 (0.47) CNR1CNR2
SCHEMBL3591440 0.66 CNR1 (0.46) CNR1CNR2
SCHEMBL3591947 0.64 CNR1 (0.39) CNR1CNR2KCNH2

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 4 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
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 (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-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 CNR1 43/4885CNR2 62/4885SMN1; SMN2 3448/4885

“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.