SCHEMBL4876841

SCHEMBL4876841

CC1CCCCN1CCCNC(=O)C(c1ccccc1)C1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
CYP2D6 P10635 2/20 0.72
TSHR P16473 2/20 0.72
TP53 P04637 1/20 0.72
CYP3A4 P08684 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
LMNA P02545 1/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CCR2 P41597 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4864577 0.88 TP53 (0.70) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL4876834 0.85 TP53 (0.98) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL194768 0.84 TP53 (1.00) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL4877646 0.80 TP53 (0.84) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL4874880 0.79 TP53 (0.70) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL4877735 0.77 CYP3A4 (0.64) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL22899817 0.76 TSHR (0.63) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL5049558 0.75 HTR1E (0.64) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL8584817 0.74 TP53 (0.64) CYP1A2CYP2D6TSHRTP53CYP3A4
SCHEMBL5049482 0.74 CYP1A2 (0.63) CYP1A2CYP2D6TSHRTP53CYP3A4

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 CYP1A2 141/4885CYP2D6 297/4885TSHR 331/4885

“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.