SCHEMBL4874859

SCHEMBL4874859

O=C(NCCCN1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 1.00
CACNA1G O43497 2/20 0.52
DRD3 P35462 3/20 0.51
DRD2 P14416 2/20 0.51
PKM P14618 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
DRD4 P21917 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4874862 1.00 SIGMAR1 (1.00) SIGMAR1CACNA1GDRD3DRD2PKM
SCHEMBL4876861 0.78 SIGMAR1 (1.00) SIGMAR1DRD3DRD2CYP2D6POLB
SCHEMBL4876867 0.78 SIGMAR1 (1.00) SIGMAR1DRD3DRD2CYP2D6POLB
SCHEMBL4872075 0.77 SIGMAR1 (0.68) SIGMAR1DRD3DRD2ALDH1A1CYP2D6
SCHEMBL4871305 0.77 TDP1 (0.66) SIGMAR1CACNA1GPKMALDH1A1LMNA
SCHEMBL4875709 0.75 SIGMAR1 (1.00) SIGMAR1CACNA1G
SCHEMBL4875721 0.75 SIGMAR1 (1.00) SIGMAR1CACNA1G
SCHEMBL17152643 0.73 SIGMAR1 (0.58) SIGMAR1CACNA1GPKMALDH1A1LMNA
SCHEMBL4870310 0.73 SIGMAR1 (1.00) SIGMAR1DRD3DRD2ALDH1A1POLB
SCHEMBL4870315 0.73 SIGMAR1 (1.00) SIGMAR1DRD3DRD2ALDH1A1POLB

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 1/4885CACNA1G 2285/4885DRD3 408/4885

“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.