SCHEMBL4576737

SCHEMBL4576737

O=C(Nc1ccc2[nH]c(=O)sc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.82
GRIN2B Q13224 8/20 0.82
GRIN2D O15399 7/20 0.82
GRIN3B O60391 7/20 0.82
GRIN2A Q12879 7/20 0.82
GRIN2C Q14957 7/20 0.82
GRIN3A Q8TCU5 7/20 0.82
CHRNA7 P36544 2/20 0.55
IDO1 P14902 2/20 0.45
EPHX2 P34913 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
SCHEMBL4409737 0.90 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4576874 0.85 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL12508969 0.82 GRIN1 (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4411820 0.82 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577718 0.80 GRIN1 (0.67) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1382907 0.79 GRIN1 (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577390 0.76 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4552245 0.75 GRIN2D (0.83) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4577807 0.75 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL21618397 0.75 CHRNA7 (0.84) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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 6 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 claimed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP claimed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US claimed
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 1/4885GRIN2B 7/4885GRIN2D 2/4885

“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.