SCHEMBL3591950

SCHEMBL3591950

O=C(NN1CCOCC1)c1coc(-c2cn(CC3CC3)c3ccc(Cl)cc23)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.45
CNR2 P34972 9/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 3/20 0.38
XDH P47989 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL3593293 0.87 CNR2 (0.48) CNR1CNR2PTGER1
SCHEMBL3587029 0.84 CNR1 (0.40) CNR1CNR2SMN1; SMN2
SCHEMBL3591440 0.84 CNR1 (0.46) CNR1CNR2XDH
SCHEMBL3591947 0.80 CNR1 (0.39) CNR1CNR2XDH
SCHEMBL4357106 0.79 CNR1 (0.47) CNR1CNR2XDH
SCHEMBL3588519 0.79 CNR1 (0.44) CNR1CNR2
SCHEMBL3603195 0.76 CNR2 (0.42) CNR1CNR2
SCHEMBL4357149 0.75 CNR1 (0.47) CNR1CNR2XDH
SCHEMBL3592525 0.70 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL31368063 0.68 CNR2 (0.74) CNR1CNR2

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-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

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.