SCHEMBL4577935

SCHEMBL4577935

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NAMPT P43490 1/20 0.51
HPGD P15428 1/20 0.50
CCR3 P51677 2/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4576896 0.90 CCR3 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2CCR3
SCHEMBL4577185 0.84 GRIN1 (0.68) NAMPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25430141 0.81 TERT (0.62) ALDH1A1KDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL31150469 0.81 TERT (0.62) ALDH1A1KDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL4551769 0.81 GRIN1 (0.71) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL4579336 0.80 CCR3 (0.74) ALDH1A1CCR3GRIN1GRIN2B
SCHEMBL28599359 0.79 KDM4E (0.71) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL4579161 0.78 CCR3 (0.71) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL3446122 0.78 GRIN1 (0.73) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL4414755 0.78 KDM4E (0.69) ALDH1A1KDM4ELMNAL3MBTL1SMN1; SMN2

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 1856/4885KDM4E 1161/4885LMNA 4778/4885

“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.