SCHEMBL632991

SCHEMBL632991

COc1ccc2nccc(NCC3CN(C(c4ccccc4)c4ccccc4)C3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KCNH2 Q12809 6/20 0.35
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
CCR8 P51685 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL632652 0.78 KCNH2 (0.39) CNR1CNR2KCNH2
SCHEMBL632992 0.69 KCNH2 (0.33) CNR1CNR2KCNH2CCR8
SCHEMBL3335199 0.69 FERMT2 (0.53) KCNH2
SCHEMBL5749369 0.68 EGFR (0.39) KCNH2
SCHEMBL3070145 0.67 EGFR (0.39) KCNH2
SCHEMBL3335196 0.66 EHMT2 (0.46) CNR1CNR2KCNH2
SCHEMBL10623577 0.66 HTR2A (0.44) KCNH2
SCHEMBL85215 0.66 OPRM1 (0.44) KCNH2SCN7ASCN5ASCN9A
SCHEMBL1147498 0.66 KCNH2 (0.43) KCNH2
SCHEMBL13634243 0.65 SCN9A (0.41) KCNH2SCN7ASCN5ASCN9A

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-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 CNR1 205/4885CNR2 564/4885KCNH2 31/4885

“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.