SCHEMBL4577645

SCHEMBL4577645

O=C1COc2cc(NCC(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.47
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
TSHR P16473 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1B P35368 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4579159 0.84 GRIN2D (0.47) IDH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4577792 0.78 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4576753 0.77 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4578171 0.77 GRIN1 (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4578858 0.76 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4577330 0.76 GRIN1 (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4578119 0.75 EPHX2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4576871 0.74 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4960130 0.72 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4185512 0.70 HTR1A (0.55) HTR1ADRD2DRD4MAPTALDH1A1

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 2 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
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 IDH1 1845/4885GRIN2D 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.