SCHEMBL4577623

SCHEMBL4577623

O=CC(Nc1ccc2c(c1)OCC(=O)N2)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.54
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL4578236 0.91 GRIN1 (0.53) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6810106 0.78 FAAH (0.51) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4577514 0.78 GRIN1 (0.83) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4579028 0.78 ALDH1A1 (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6810947 0.77 GRIN1 (0.61) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4578914 0.76 GRIN2D (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6810929 0.76 GRIN2B (0.56) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8548402 0.73 GRIN1 (0.65) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8548554 0.71 GRIN1 (0.65) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4577859 0.70 ALDH1A1 (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C GRIN1 1/4885GRIN2D 2/4885GRIN3B 9/4885

“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.