SCHEMBL4577682

SCHEMBL4577682

O=C(Nc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.85
GRIN3B O60391 5/20 0.85
GRIN1 Q05586 5/20 0.85
GRIN2A Q12879 5/20 0.85
GRIN2B Q13224 5/20 0.85
GRIN2C Q14957 5/20 0.85
GRIN3A Q8TCU5 5/20 0.85
FAAH O00519 4/20 0.75
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CCR3 P51677 1/20 0.56

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
SCHEMBL4411704 0.92 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4578456 0.91 GRIN2D (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4577738 0.91 GRIN2D (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4576986 0.91 GRIN2D (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4578034 0.91 GRIN2D (0.80) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4577041 0.90 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4577825 0.90 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4578019 0.90 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4578123 0.90 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28750875 0.89 GRIN2D (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 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
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO 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 GRIN2D 2/4885GRIN3B 9/4885GRIN1 1/4885

“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.