SCHEMBL4577408

SCHEMBL4577408

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2[nH]c(=S)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GRIN1 Q05586 4/20 0.59
GRIN2D O15399 3/20 0.59
GRIN3B O60391 3/20 0.59
GRIN2A Q12879 3/20 0.59
GRIN2B Q13224 3/20 0.59
GRIN2C Q14957 3/20 0.59
GRIN3A Q8TCU5 3/20 0.59
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PSMB8 P28062 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ENPP2 Q13822 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
SCHEMBL3446122 0.90 GRIN1 (0.73) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4577845 0.85 GRIN1 (0.81) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4551769 0.81 GRIN1 (0.71) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL3446674 0.80 GRIN1 (0.74) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL4577735 0.80 GRIN1 (0.73) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4414755 0.78 KDM4E (0.69) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL28599359 0.78 KDM4E (0.71) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL4577935 0.77 ALDH1A1 (0.61) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL4579336 0.77 CCR3 (0.74) ALDH1A1GRIN1GRIN2B
SCHEMBL3445969 0.76 GRIN1 (0.55) ALDH1A1GRIN1GRIN2DGRIN3BGRIN2A

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
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 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.