SCHEMBL4871963

SCHEMBL4871963

O=C(NCCN1CCOCC1)C1CC1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.79
PLD1 Q13393 3/20 0.58
PLD2 O14939 2/20 0.58
HPGD P15428 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL4872075 0.93 SIGMAR1 (0.68) SIGMAR1ALDH1A1KDM4EDRD2DRD3
SCHEMBL4870315 0.88 SIGMAR1 (1.00) SIGMAR1PLD1PLD2ALDH1A1DRD2
SCHEMBL4870310 0.88 SIGMAR1 (1.00) SIGMAR1PLD1PLD2ALDH1A1DRD2
SCHEMBL4867118 0.87 SIGMAR1 (0.97) SIGMAR1PLD1PLD2DRD2DRD3
SCHEMBL4876867 0.84 SIGMAR1 (1.00) SIGMAR1PLD1PLD2TSHRDRD2
SCHEMBL4876861 0.84 SIGMAR1 (1.00) SIGMAR1PLD1PLD2TSHRDRD2
SCHEMBL13043570 0.80 FFAR1 (0.67) SIGMAR1HPGDALDH1A1KDM4ETDP1
SCHEMBL3737723 0.80 FFAR1 (0.67) SIGMAR1HPGDALDH1A1KDM4ETDP1
SCHEMBL5180920 0.79 SIGMAR1 (0.80) SIGMAR1PLD1PLD2ALDH1A1DRD2
SCHEMBL5180929 0.79 SIGMAR1 (0.80) SIGMAR1PLD1PLD2ALDH1A1DRD2

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-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US claimed
EP-1797036-A1 SIGMA RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2007-06-20 EP claimed
WO-2006027252-A1 SIGMA RECEPTOR LIGANDS UCB PHARMA, SA (BE) 2006-03-16 WO claimed
US-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US disclosed
EP-1797036-A1 SIGMA RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2007-06-20 EP disclosed
WO-2006027252-A1 SIGMA RECEPTOR LIGANDS UCB PHARMA, SA (BE) 2006-03-16 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-20080153917-A1 Sigma Receptor Ligands SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885PLD1 2266/4885PLD2 1203/4885

“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.