SCHEMBL4579028

SCHEMBL4579028

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
GRIN1 Q05586 3/20 0.64
GRIN2D O15399 2/20 0.64
GRIN3B O60391 2/20 0.64
GRIN2A Q12879 2/20 0.64
GRIN2B Q13224 2/20 0.64
GRIN2C Q14957 2/20 0.64
GRIN3A Q8TCU5 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRPV1 Q8NER1 1/20 0.47
CCR3 P51677 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4577859 0.93 ALDH1A1 (0.68) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4577553 0.91 GRIN1 (0.65) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4578289 0.91 ALDH1A1 (0.56) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4577580 0.86 ALDH1A1 (0.51) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4576436 0.86 ALDH1A1 (0.51) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4577514 0.85 GRIN1 (0.83) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4576871 0.84 GRIN2D (0.48) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4578162 0.84 GRIN1 (0.62) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4579659 0.84 ALDH1A1 (0.56) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8548554 0.79 GRIN1 (0.65) 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 4 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
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN 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 ALDH1A1 1856/4885GRIN1 1/4885GRIN2D 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.