SCHEMBL4871305

SCHEMBL4871305

O=C(NCCCN1CCN(Cc2c(F)cccc2Cl)CC1)C(c1ccccc1)C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
SIGMAR1 Q99720 2/20 0.62
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
ALDH1A1 P00352 2/20 0.51
CACNA1G O43497 2/20 0.50
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL4876834 0.81 TP53 (0.98) TDP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL194768 0.80 TP53 (1.00) TDP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL17152643 0.77 SIGMAR1 (0.58) TDP1TP53TSHRSIGMAR1ALDH1A1
SCHEMBL4874859 0.77 SIGMAR1 (1.00) TDP1CYP2D6TSHRSIGMAR1ALDH1A1
SCHEMBL4874862 0.77 SIGMAR1 (1.00) TDP1CYP2D6TSHRSIGMAR1ALDH1A1
SCHEMBL4877646 0.74 TP53 (0.84) TDP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7601155 0.72 TP53 (0.70) TDP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4864577 0.71 TP53 (0.70) TDP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL17152642 0.71 SIGMAR1 (0.55) TDP1TSHRSIGMAR1ALDH1A1CACNA1G
SCHEMBL13241313 0.71 SIGMAR1 (0.53) TDP1TP53TSHRSIGMAR1ALDH1A1

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 TDP1 4533/4885TP53 4797/4885CYP1A2 141/4885

“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.