SCHEMBL6808216

SCHEMBL6808216

O=C(OCc1ccccc1)N1CCC(CNc2nccnc2Cl)CC1.Oc1nccnc1NCC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.60
CYP2D6 P10635 4/20 0.60
CYP2C9 P11712 4/20 0.60
CYP3A4 P08684 3/20 0.60

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
SCHEMBL5365987 0.90 GRIN2B (0.72) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5357717 0.89 GRIN2B (0.73) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5356269 0.83 GRIN2B (0.60) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5354371 0.81 GRIN2B (0.71) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5346958 0.81 GRIN2B (0.71) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5354026 0.80 GRIN2B (0.74) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5347561 0.78 GRIN2B (0.74) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL14502214 0.77 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5358124 0.77 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL5366730 0.77 GRIN2B (0.68) GRIN2BCYP2D6CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 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-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A GRIN2B 4/4885CYP2D6 1690/4885CYP2C9 1142/4885

“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.