SCHEMBL4874880

SCHEMBL4874880

O=C(NCCCNC1CCCCC1)C(c1ccccc1)C1CCCC1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
TSHR P16473 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HTR1E P28566 1/20 0.56
KMT2A Q03164 1/20 0.56
S1PR3 Q99500 1/20 0.56
CXCR4 P61073 1/20 0.56
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL194768 0.82 TP53 (1.00) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4876834 0.81 TP53 (0.98) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4877735 0.80 CYP3A4 (0.64) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8584817 0.80 TP53 (0.64) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4864577 0.80 TP53 (0.70) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5049482 0.80 CYP1A2 (0.63) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL22899817 0.79 TSHR (0.63) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4876841 0.79 CYP1A2 (0.72) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL9829773 0.78 HTR1E (0.64) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5049558 0.78 HTR1E (0.64) TP53CYP1A2CYP3A4CYP2D6TSHR

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 TP53 4797/4885CYP1A2 141/4885CYP3A4 168/4885

“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.